N-[1-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]piperidin-4-yl]cyclopropanecarboxamide

Systemtic Name: N-[1-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]piperidin-4-yl]cyclopropanecarboxamide Openeye Name: N-[1-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-4-piperidyl]cyclopropanecarboxamide CAS Name: N-[1-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-4-piperidinyl]cyclopropanecarboxamide IUPAC Name: N-[1-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]piperidin-4-yl]cyclopropanecarboxamide Traditional Name: N-[1-(homoveratrylthiocarbamoyl)-4-piperidyl]cyclopropanecarboxamide Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCC(CC2)NC(=O)C3CC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCC(CC2)NC(=O)C3CC3)OC

InChI

InChI=1S/C20H29N3O3S/c1-25-17-6-3-14(13-18(17)26-2)7-10-21-20(27)23-11-8-16(9-12-23)22-19(24)15-4-5-15/h3,6,13,15-16H,4-5,7-12H2,1-2H3,(H,21,27)(H,22,24)