2-[(2-methoxyphenyl)carbonylamino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(2-methoxyphenyl)carbonylamino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(2-methoxybenzoyl)amino]-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(2-methoxyphenyl)-oxomethyl]amino]-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(2-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(o-anisoylamino)-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H23N3O3S/c1-29-18-10-4-2-8-16(18)21(27)26-23-20(17-9-3-5-11-19(17)30-23)22(28)25-14-15-7-6-12-24-13-15/h2,4,6-8,10,12-13H,3,5,9,11,14H2,1H3,(H,25,28)(H,26,27)