N-[2-(4-nitrophenyl)ethyl]-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carbothioamide

Systemtic Name: N-[2-(4-nitrophenyl)ethyl]-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Openeye Name: N-[2-(4-nitrophenyl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide CAS Name: N-[2-(4-nitrophenyl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinecarbothioamide IUPAC Name: N-[2-(4-nitrophenyl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Traditional Name: 4-(2-keto-3H-benzimidazol-1-yl)-N-[2-(4-nitrophenyl)ethyl]piperidine-1-carbothioamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=S)NCCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=S)NCCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3S/c27-20-23-18-3-1-2-4-19(18)25(20)16-10-13-24(14-11-16)21(30)22-12-9-15-5-7-17(8-6-15)26(28)29/h1-8,16H,9-14H2,(H,22,30)(H,23,27)