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

Systemtic Name: ethyl (NZ)-N-[[(2-acetamido-4-phenylsulfanyl-phenyl)-propanoyl-amino]-azanyl-methylidene]carbamate Openeye Name: ethyl (NZ)-N-[(2-acetamido-4-phenylsulfanyl-N-propanoyl-anilino)-amino-methylene]carbamate CAS Name: (NZ)-N-[[2-acetamido-N-(1-oxopropyl)-4-(phenylthio)anilino]-aminomethylidene]carbamic acid ethyl ester IUPAC Name: ethyl (NZ)-N-[(2-acetamido-4-phenylsulfanyl-N-propanoylanilino)-aminomethylidene]carbamate Traditional Name: (NZ)-N-[[2-acetamido-4-(phenylthio)-N-propionyl-anilino]-amino-methylene]carbamic acid ethyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=C(C=C(C=C1)SC2=CC=CC=C2)NC(=O)C)C(=NC(=O)OCC)N

Isomeric SMILES

CCC(=O)N(C1=C(C=C(C=C1)SC2=CC=CC=C2)NC(=O)C)/C(=N\C(=O)OCC)/N

InChI

InChI=1S/C21H24N4O4S/c1-4-19(27)25(20(22)24-21(28)29-5-2)18-12-11-16(13-17(18)23-14(3)26)30-15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3,(H,23,26)(H2,22,24,28)