N-[1-[(3-methyl-2-phenyl-butyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[1-[(3-methyl-2-phenyl-butyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[1-[(3-methyl-2-phenyl-butyl)carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: N-[1-[(3-methyl-2-phenylbutyl)amino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[1-[(3-methyl-2-phenylbutyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[1-[(3-methyl-2-phenyl-butyl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-16(2)20(17-8-5-4-6-9-17)15-24-23(28)21(12-13-31-3)25-22(27)18-10-7-11-19(14-18)26(29)30/h4-11,14,16,20-21H,12-13,15H2,1-3H3,(H,24,28)(H,25,27)