1-[(2,5-dimethoxyphenyl)carbamothioyl]-4-piperidin-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[(2,5-dimethoxyphenyl)carbamothioyl]-4-piperidin-1-yl-piperidine-4-carboxamide Openeye Name: 1-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(1-piperidyl)piperidine-4-carboxamide CAS Name: 1-[(2,5-dimethoxyanilino)-sulfanylidenemethyl]-4-(1-piperidinyl)-4-piperidinecarboxamide IUPAC Name: 1-[(2,5-dimethoxyphenyl)carbamothioyl]-4-piperidin-1-ylpiperidine-4-carboxamide Traditional Name: 1-[(2,5-dimethoxyphenyl)thiocarbamoyl]-4-piperidino-isonipecotamide Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)N2CCC(CC2)(C(=O)N)N3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)N2CCC(CC2)(C(=O)N)N3CCCCC3

InChI

InChI=1S/C20H30N4O3S/c1-26-15-6-7-17(27-2)16(14-15)22-19(28)23-12-8-20(9-13-23,18(21)25)24-10-4-3-5-11-24/h6-7,14H,3-5,8-13H2,1-2H3,(H2,21,25)(H,22,28)