N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]cyclohexanecarboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]cyclohexanecarboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]cyclohexanecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]cyclohexanecarboxamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)cyclohexanecarboxamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2CCCCC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2CCCCC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O3S/c1-13-16(11-22)21(23-20(24)15-5-3-2-4-6-15)27-19(13)10-14-7-8-17-18(9-14)26-12-25-17/h7-9,15H,2-6,10,12H2,1H3,(H,23,24)