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

Systemtic Name: 2-(2-methylpropanoylamino)-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(2-methylpropanoylamino)-N-(2-pyridyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(2-methyl-1-oxopropyl)amino]-N-(2-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(2-methylpropanoylamino)-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(isobutyrylamino)-N-(2-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=CC=CC=N3

Isomeric SMILES

CC(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NC3=CC=CC=N3

InChI

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