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

Systemtic Name: 4-chloranyl-N-[1-[(4-dimethylaminophenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[(4-dimethylaminophenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-[(4-dimethylaminophenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-[(4-dimethylaminophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[[4-(dimethylamino)benzyl]carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C21H25ClN4O4S MolecularWeight: 464.9656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O4S/c1-25(2)16-7-4-14(5-8-16)13-23-21(28)18(10-11-31-3)24-20(27)15-6-9-17(22)19(12-15)26(29)30/h4-9,12,18H,10-11,13H2,1-3H3,(H,23,28)(H,24,27)