N-(1,3-benzodioxol-5-ylmethyl)-4-cyclohexylcarbonyl-piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-cyclohexylcarbonyl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(cyclohexanecarbonyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[cyclohexyl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(cyclohexanecarbonyl)piperazine-1-carbothioamide Traditional Name: 4-(cyclohexanecarbonyl)-N-piperonyl-piperazine-1-carbothioamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H27N3O3S/c24-19(16-4-2-1-3-5-16)22-8-10-23(11-9-22)20(27)21-13-15-6-7-17-18(12-15)26-14-25-17/h6-7,12,16H,1-5,8-11,13-14H2,(H,21,27)