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

Systemtic Name: N-[1-[(4-acetamidophenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[1-[(4-acetamidophenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-4-chloro-3-nitro-benzamide CAS Name: N-[1-[(4-acetamidophenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[1-[(4-acetamidophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: N-[1-[(4-acetamidobenzyl)carbamoyl]-3-(methylthio)propyl]-4-chloro-3-nitro-benzamide Formula: C21H23ClN4O5S MolecularWeight: 478.94912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O5S/c1-13(27)24-16-6-3-14(4-7-16)12-23-21(29)18(9-10-32-2)25-20(28)15-5-8-17(22)19(11-15)26(30)31/h3-8,11,18H,9-10,12H2,1-2H3,(H,23,29)(H,24,27)(H,25,28)