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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2S/c1-2-5-16(23)22-19-17(14-6-3-4-7-15(14)25-19)18(24)21-12-13-8-10-20-11-9-13/h8-11H,2-7,12H2,1H3,(H,21,24)(H,22,23)