N-[3-[1-[(3-chlorophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[3-[1-[(3-chlorophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[3-[1-[(3-chlorophenyl)carbamoyl]propylsulfanyl]phenyl]-3-nitro-benzamide CAS Name: N-[3-[[1-(3-chloroanilino)-1-oxobutan-2-yl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-[1-(3-chloroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[3-[1-[(3-chlorophenyl)carbamoyl]propylthio]phenyl]-3-nitro-benzamide Formula: C23H20ClN3O4S MolecularWeight: 469.9406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC=C1)Cl)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC=C1)Cl)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20ClN3O4S/c1-2-21(23(29)26-17-8-4-7-16(24)13-17)32-20-11-5-9-18(14-20)25-22(28)15-6-3-10-19(12-15)27(30)31/h3-14,21H,2H2,1H3,(H,25,28)(H,26,29)