N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-4-phenoxy-butanamide

Systemtic Name: N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-4-phenoxy-butanamide Openeye Name: N-[(4-chloro-3-nitro-phenyl)carbamothioyl]-4-phenoxy-butanamide CAS Name: N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]-4-phenoxybutanamide IUPAC Name: N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-phenoxybutanamide Traditional Name: N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]-4-phenoxy-butyramide Formula: C17H16ClN3O4S MolecularWeight: 393.84464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O4S/c18-14-9-8-12(11-15(14)21(23)24)19-17(26)20-16(22)7-4-10-25-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10H2,(H2,19,20,22,26)