N-[(3-nitrophenyl)carbamothioyl]-4-phenoxy-butanamide

Systemtic Name: N-[(3-nitrophenyl)carbamothioyl]-4-phenoxy-butanamide Openeye Name: N-[(3-nitrophenyl)carbamothioyl]-4-phenoxy-butanamide CAS Name: N-[(3-nitroanilino)-sulfanylidenemethyl]-4-phenoxybutanamide IUPAC Name: N-[(3-nitrophenyl)carbamothioyl]-4-phenoxybutanamide Traditional Name: N-[(3-nitrophenyl)thiocarbamoyl]-4-phenoxy-butyramide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c21-16(10-5-11-24-15-8-2-1-3-9-15)19-17(25)18-13-6-4-7-14(12-13)20(22)23/h1-4,6-9,12H,5,10-11H2,(H2,18,19,21,25)