methyl N-[[2-(2-azanylethanoylamino)-5-(4-chlorophenyl)sulfanyl-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(2-azanylethanoylamino)-5-(4-chlorophenyl)sulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-[(2-aminoacetyl)amino]-5-(4-chlorophenyl)sulfanyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[(2-amino-1-oxoethyl)amino]-5-[(4-chlorophenyl)thio]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-[(2-aminoacetyl)amino]-5-(4-chlorophenyl)sulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[5-[(4-chlorophenyl)thio]-2-(glycylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C17H17ClN4O3S2 MolecularWeight: 424.92488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=CC(=C1)SC2=CC=C(C=C2)Cl)NC(=O)CN

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=CC(=C1)SC2=CC=C(C=C2)Cl)NC(=O)CN

InChI

InChI=1S/C17H17ClN4O3S2/c1-25-17(24)22-16(26)21-14-8-12(6-7-13(14)20-15(23)9-19)27-11-4-2-10(18)3-5-11/h2-8H,9,19H2,1H3,(H,20,23)(H2,21,22,24,26)