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

Systemtic Name: N-(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-piperonylamide Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-9-2-4-11-14(6-9)25-18(15(11)16(19)21)20-17(22)10-3-5-12-13(7-10)24-8-23-12/h3,5,7,9H,2,4,6,8H2,1H3,(H2,19,21)(H,20,22)