ethyl 4-{[(naphthalen-1-ylformamido)methanethioyl]amino}benzoate

ethyl 4-{[(naphthalen-1-ylformamido)methanethioyl]amino}benzoate

Formula: C21H18N2O3S

SMILES: CCOC(=O)C1=CC=C(NC(=S)NC(=O)C2=CC=CC3=CC=CC=C23)C=C1

IUPAC: ethyl 4-({[(naphthalen-1-yl)formamido]methanethioyl}amino)benzoate

InChI: InChI=1S/C21H18N2O3S/c1-2-26-20(25)15-10-12-16(13-11-15)22-21(27)23-19(24)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,2H2,1H3,(H2,22,23,24,27)

Composition: C (66.65%), H (4.79%), N (7.40%), O (12.68%), S (8.47%)

Molar Mass: 378.45

Atom Count: 45

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	378.103813622
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	BRLDLLOYZKPVDL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.05
Topological Polar Surface Area	67.43
Polarizability	42.95
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H18N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00