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

Systemtic Name: 2-(2-methylpropanoylamino)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(2-methylpropanoylamino)-N-(4-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(2-methyl-1-oxopropyl)amino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(2-methylpropanoylamino)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(isobutyrylamino)-N-(4-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

CC(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C19H23N3O2S/c1-12(2)17(23)22-19-16(14-5-3-4-6-15(14)25-19)18(24)21-11-13-7-9-20-10-8-13/h7-10,12H,3-6,11H2,1-2H3,(H,21,24)(H,22,23)