4-[(4-nitrophenyl)amino]-N-[phenyl(thiophen-2-yl)methyl]butanamide

Systemtic Name: 4-[(4-nitrophenyl)amino]-N-[phenyl(thiophen-2-yl)methyl]butanamide Openeye Name: 4-(4-nitroanilino)-N-[phenyl(2-thienyl)methyl]butanamide CAS Name: 4-(4-nitroanilino)-N-[phenyl(thiophen-2-yl)methyl]butanamide IUPAC Name: 4-(4-nitroanilino)-N-[phenyl(thiophen-2-yl)methyl]butanamide Traditional Name: 4-(4-nitroanilino)-N-[phenyl(2-thienyl)methyl]butyramide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O3S/c25-20(9-4-14-22-17-10-12-18(13-11-17)24(26)27)23-21(19-8-5-15-28-19)16-6-2-1-3-7-16/h1-3,5-8,10-13,15,21-22H,4,9,14H2,(H,23,25)