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

Systemtic Name: methyl N-[[2-(2-azanylethanoylamino)-5-(4-methylphenyl)sulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-[(2-aminoacetyl)amino]-5-(p-tolylsulfanyl)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[(2-amino-1-oxoethyl)amino]-5-[(4-methylphenyl)thio]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-[(2-aminoacetyl)amino]-5-(4-methylphenyl)sulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(glycylamino)-5-(p-tolylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=C(C=C2)NC(=O)CN)NC(=S)NC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=C(C=C2)NC(=O)CN)NC(=S)NC(=O)OC

InChI

InChI=1S/C18H20N4O3S2/c1-11-3-5-12(6-4-11)27-13-7-8-14(20-16(23)10-19)15(9-13)21-17(26)22-18(24)25-2/h3-9H,10,19H2,1-2H3,(H,20,23)(H2,21,22,24,26)