N-(4-cyclopentylsulfanylphenyl)-3-(4-nitroimidazol-1-yl)propanamide

Systemtic Name: N-(4-cyclopentylsulfanylphenyl)-3-(4-nitroimidazol-1-yl)propanamide Openeye Name: N-(4-cyclopentylsulfanylphenyl)-3-(4-nitroimidazol-1-yl)propanamide CAS Name: N-[4-(cyclopentylthio)phenyl]-3-(4-nitro-1-imidazolyl)propanamide IUPAC Name: N-(4-cyclopentylsulfanylphenyl)-3-(4-nitroimidazol-1-yl)propanamide Traditional Name: N-[4-(cyclopentylthio)phenyl]-3-(4-nitroimidazol-1-yl)propionamide Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=CC=C(C=C2)NC(=O)CCN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)SC2=CC=C(C=C2)NC(=O)CCN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O3S/c22-17(9-10-20-11-16(18-12-20)21(23)24)19-13-5-7-15(8-6-13)25-14-3-1-2-4-14/h5-8,11-12,14H,1-4,9-10H2,(H,19,22)