N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-piperonylamide Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16N2O3S/c1-10-2-4-12-13(8-19)18(24-16(12)6-10)20-17(21)11-3-5-14-15(7-11)23-9-22-14/h3,5,7,10H,2,4,6,9H2,1H3,(H,20,21)