2-[(3-oxidanylidene-1H-2-benzofuran-1-yl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(3-oxidanylidene-1H-2-benzofuran-1-yl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(3-oxo-1H-isobenzofuran-1-yl)amino]-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(3-oxo-1H-isobenzofuran-1-yl)amino]-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(3-oxo-1H-2-benzofuran-1-yl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(phthalidylamino)-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC3C4=CC=CC=C4C(=O)O3)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC3C4=CC=CC=C4C(=O)O3)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C23H21N3O3S/c27-20(25-13-14-6-5-11-24-12-14)19-17-9-3-4-10-18(17)30-22(19)26-21-15-7-1-2-8-16(15)23(28)29-21/h1-2,5-8,11-12,21,26H,3-4,9-10,13H2,(H,25,27)