2-(2-methylpropanoylamino)-N-pyridin-3-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-(2-methylpropanoylamino)-N-pyridin-3-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(2-methylpropanoylamino)-N-(3-pyridyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(2-methyl-1-oxopropyl)amino]-N-(3-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(2-methylpropanoylamino)-N-pyridin-3-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(isobutyrylamino)-N-(3-pyridyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NC3=CN=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NC3=CN=CC=C3

InChI

InChI=1S/C18H21N3O2S/c1-11(2)16(22)21-18-15(13-7-3-4-8-14(13)24-18)17(23)20-12-6-5-9-19-10-12/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,20,23)(H,21,22)