N-[1-[(3-acetamidophenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[1-[(3-acetamidophenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[1-[(3-acetamidophenyl)carbamoyl]-3-methylsulfanyl-propyl]-4-chloro-3-nitro-benzamide CAS Name: N-[1-(3-acetamidoanilino)-4-(methylthio)-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[1-(3-acetamidoanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: N-[1-[(3-acetamidophenyl)carbamoyl]-3-(methylthio)propyl]-4-chloro-3-nitro-benzamide Formula: C20H21ClN4O5S MolecularWeight: 464.92254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O5S/c1-12(26)22-14-4-3-5-15(11-14)23-20(28)17(8-9-31-2)24-19(27)13-6-7-16(21)18(10-13)25(29)30/h3-7,10-11,17H,8-9H2,1-2H3,(H,22,26)(H,23,28)(H,24,27)