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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-cyclohexylcarbonyl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(cyclohexanecarbonyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[cyclohexyl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(cyclohexanecarbonyl)piperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(cyclohexanecarbonyl)piperazine-1-carbothioamide Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H25N3O3S/c23-18(14-4-2-1-3-5-14)21-8-10-22(11-9-21)19(26)20-15-6-7-16-17(12-15)25-13-24-16/h6-7,12,14H,1-5,8-11,13H2,(H,20,26)