4-[(4-nitrophenyl)amino]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide

Systemtic Name: 4-[(4-nitrophenyl)amino]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide Openeye Name: 4-(4-nitroanilino)-N-[4-(3-pyridylmethylsulfanyl)phenyl]butanamide CAS Name: 4-(4-nitroanilino)-N-[4-(3-pyridinylmethylthio)phenyl]butanamide IUPAC Name: 4-(4-nitroanilino)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide Traditional Name: 4-(4-nitroanilino)-N-[4-(3-pyridylmethylthio)phenyl]butyramide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CSC2=CC=C(C=C2)NC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CSC2=CC=C(C=C2)NC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3S/c27-22(4-2-14-24-18-5-9-20(10-6-18)26(28)29)25-19-7-11-21(12-8-19)30-16-17-3-1-13-23-15-17/h1,3,5-13,15,24H,2,4,14,16H2,(H,25,27)