N-(1,3-benzodioxol-5-yl)-1-[[(1S,2S)-2-methylcyclohexyl]carbamothioyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[[(1S,2S)-2-methylcyclohexyl]carbamothioyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[[(1S,2S)-2-methylcyclohexyl]carbamothioyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[[(1S,2S)-2-methylcyclohexyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[[(1S,2S)-2-methylcyclohexyl]carbamothioyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[[(1S,2S)-2-methylcyclohexyl]thiocarbamoyl]isonipecotamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H29N3O3S/c1-14-4-2-3-5-17(14)23-21(28)24-10-8-15(9-11-24)20(25)22-16-6-7-18-19(12-16)27-13-26-18/h6-7,12,14-15,17H,2-5,8-11,13H2,1H3,(H,22,25)(H,23,28)/t14-,17-/m0/s1