3-nitro-N-[2-[1-(phenylmethyl)piperidin-4-yl]ethylcarbamothioyl]benzamide hydrochloride

Systemtic Name: 3-nitro-N-[2-[1-(phenylmethyl)piperidin-4-yl]ethylcarbamothioyl]benzamide hydrochloride Openeye Name: N-[2-(1-benzyl-4-piperidyl)ethylcarbamothioyl]-3-nitro-benzamide hydrochloride CAS Name: 3-nitro-N-[[2-[1-(phenylmethyl)-4-piperidinyl]ethylamino]-sulfanylidenemethyl]benzamide hydrochloride IUPAC Name: N-[2-(1-benzylpiperidin-4-yl)ethylcarbamothioyl]-3-nitrobenzamide hydrochloride Traditional Name: N-[2-(1-benzyl-4-piperidyl)ethylthiocarbamoyl]-3-nitro-benzamide hydrochloride Formula: C22H27ClN4O3S MolecularWeight: 462.99278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3.Cl

Isomeric SMILES

C1CN(CCC1CCNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3.Cl

InChI

InChI=1S/C22H26N4O3S.ClH/c27-21(19-7-4-8-20(15-19)26(28)29)24-22(30)23-12-9-17-10-13-25(14-11-17)16-18-5-2-1-3-6-18;/h1-8,15,17H,9-14,16H2,(H2,23,24,27,30);1H