N-[4-({[(3,4-dichlorophenyl)formamido]methanethioyl}amino)phenyl]-3-methylbenzamide

N-[4-({[(3,4-dichlorophenyl)formamido]methanethioyl}amino)phenyl]-3-methylbenzamide

Formula: C22H17Cl2N3O2S

SMILES: CC1=CC(=CC=C1)C(=O)NC1=CC=C(NC(=S)NC(=O)C2=CC=C(Cl)C(Cl)=C2)C=C1

IUPAC: N-[4-({[(3,4-dichlorophenyl)formamido]methanethioyl}amino)phenyl]-3-methylbenzamide

InChI: InChI=1S/C22H17Cl2N3O2S/c1-13-3-2-4-14(11-13)20(28)25-16-6-8-17(9-7-16)26-22(30)27-21(29)15-5-10-18(23)19(24)12-15/h2-12H,1H3,(H,25,28)(H2,26,27,29,30)

Composition: C (57.65%), H (3.74%), Cl (15.47%), N (9.17%), O (6.98%), S (6.99%)

Molar Mass: 458.36

Atom Count: 47

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	457.0418534
Formal Charge	0
FSP3	0.05
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
InChIKey	WDIURTAJEXLUJX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	128.01
Topological Polar Surface Area	70.23
Polarizability	47.31
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H17Cl2N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00