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

Systemtic Name: 2-(propanoylamino)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(propanoylamino)-N-(4-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-(1-oxopropylamino)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(propanoylamino)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-propionamido-N-(4-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S/c1-2-15(22)21-18-16(13-5-3-4-6-14(13)24-18)17(23)20-11-12-7-9-19-10-8-12/h7-10H,2-6,11H2,1H3,(H,20,23)(H,21,22)