3-methyl-N-[4-({[(2-methyl-3-nitrophenyl)formamido]methanethioyl}amino)phenyl]benzamide

3-methyl-N-[4-({[(2-methyl-3-nitrophenyl)formamido]methanethioyl}amino)phenyl]benzamide

Formula: C23H20N4O4S

SMILES: CC1=CC(=CC=C1)C(=O)NC1=CC=C(NC(=S)NC(=O)C2=CC=CC(=C2C)[N+]([O-])=O)C=C1

IUPAC: 3-methyl-N-[4-({[(2-methyl-3-nitrophenyl)formamido]methanethioyl}amino)phenyl]benzamide

InChI: InChI=1S/C23H20N4O4S/c1-14-5-3-6-16(13-14)21(28)24-17-9-11-18(12-10-17)25-23(32)26-22(29)19-7-4-8-20(15(19)2)27(30)31/h3-13H,1-2H3,(H,24,28)(H2,25,26,29,32)

Composition: C (61.60%), H (4.50%), N (12.49%), O (14.27%), S (7.15%)

Molar Mass: 448.5

Atom Count: 52

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	448.120526314
Formal Charge	0
FSP3	0.09
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	FXNYDTAQYAMWSJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	129.76
Topological Polar Surface Area	113.37
Polarizability	47.17
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H20N4O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00