N-[2-[1-(phenylmethyl)piperidin-4-yl]ethylcarbamothioyl]-1,3-benzodioxole-5-carboxamide hydrochloride

Systemtic Name: N-[2-[1-(phenylmethyl)piperidin-4-yl]ethylcarbamothioyl]-1,3-benzodioxole-5-carboxamide hydrochloride Openeye Name: N-[2-(1-benzyl-4-piperidyl)ethylcarbamothioyl]-1,3-benzodioxole-5-carboxamide hydrochloride CAS Name: N-[[2-[1-(phenylmethyl)-4-piperidinyl]ethylamino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide hydrochloride IUPAC Name: N-[2-(1-benzylpiperidin-4-yl)ethylcarbamothioyl]-1,3-benzodioxole-5-carboxamide hydrochloride Traditional Name: N-[2-(1-benzyl-4-piperidyl)ethylthiocarbamoyl]-piperonylamide hydrochloride Formula: C23H28ClN3O3S MolecularWeight: 462.00472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCNC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4.Cl

Isomeric SMILES

C1CN(CCC1CCNC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4.Cl

InChI

InChI=1S/C23H27N3O3S.ClH/c27-22(19-6-7-20-21(14-19)29-16-28-20)25-23(30)24-11-8-17-9-12-26(13-10-17)15-18-4-2-1-3-5-18;/h1-7,14,17H,8-13,15-16H2,(H2,24,25,27,30);1H