methyl (NZ)-N-[[(2-acetamido-4-phenylsulfanyl-phenyl)-butanoyl-amino]-azanyl-methylidene]carbamate

Systemtic Name: methyl (NZ)-N-[[(2-acetamido-4-phenylsulfanyl-phenyl)-butanoyl-amino]-azanyl-methylidene]carbamate Openeye Name: methyl (NZ)-N-[(2-acetamido-N-butanoyl-4-phenylsulfanyl-anilino)-amino-methylene]carbamate CAS Name: (NZ)-N-[[2-acetamido-N-(1-oxobutyl)-4-(phenylthio)anilino]-aminomethylidene]carbamic acid methyl ester IUPAC Name: methyl (NZ)-N-[(2-acetamido-N-butanoyl-4-phenylsulfanylanilino)-aminomethylidene]carbamate Traditional Name: (NZ)-N-[[2-acetamido-N-butyryl-4-(phenylthio)anilino]-amino-methylene]carbamic acid methyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=C(C=C(C=C1)SC2=CC=CC=C2)NC(=O)C)C(=NC(=O)OC)N

Isomeric SMILES

CCCC(=O)N(C1=C(C=C(C=C1)SC2=CC=CC=C2)NC(=O)C)/C(=N\C(=O)OC)/N

InChI

InChI=1S/C21H24N4O4S/c1-4-8-19(27)25(20(22)24-21(28)29-3)18-12-11-16(13-17(18)23-14(2)26)30-15-9-6-5-7-10-15/h5-7,9-13H,4,8H2,1-3H3,(H,23,26)(H2,22,24,28)