N-[3-[1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[3-[1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[3-[1-[(3-chloro-4-methoxy-phenyl)carbamoyl]propylsulfanyl]phenyl]-3-nitro-benzamide CAS Name: N-[3-[[1-(3-chloro-4-methoxyanilino)-1-oxobutan-2-yl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-[1-(3-chloro-4-methoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[3-[1-[(3-chloro-4-methoxy-phenyl)carbamoyl]propylthio]phenyl]-3-nitro-benzamide Formula: C24H22ClN3O5S MolecularWeight: 499.96658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN3O5S/c1-3-22(24(30)27-17-10-11-21(33-2)20(25)14-17)34-19-9-5-7-16(13-19)26-23(29)15-6-4-8-18(12-15)28(31)32/h4-14,22H,3H2,1-2H3,(H,26,29)(H,27,30)