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

Systemtic Name: 2-(butanoylamino)-N-pyridin-3-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(butanoylamino)-N-(3-pyridyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-(1-oxobutylamino)-N-(3-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(butanoylamino)-N-pyridin-3-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-butyramido-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:

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

Isomeric SMILES

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

InChI

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