N2-propyl-N3-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide

Systemtic Name: N2-propyl-N3-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide Openeye Name: N2-propyl-N3-(2-pyridyl)-4,5,6,7-tetrahydrobenzothiophene-2,3-dicarboxamide CAS Name: N2-propyl-N3-(2-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide IUPAC Name: 2-N-propyl-3-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide Traditional Name: N-propyl-N'-(2-pyridyl)-4,5,6,7-tetrahydrobenzothiophene-2,3-dicarboxamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C2=C(S1)CCCC2)C(=O)NC3=CC=CC=N3

Isomeric SMILES

CCCNC(=O)C1=C(C2=C(S1)CCCC2)C(=O)NC3=CC=CC=N3

InChI

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