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

Systemtic Name: 2-[(2,4-diethoxyphenyl)carbonylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(2,4-diethoxybenzoyl)amino]-6-methyl-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(2,4-diethoxyphenyl)-oxomethyl]amino]-6-methyl-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(2,4-diethoxybenzoyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(2,4-diethoxybenzoyl)amino]-6-methyl-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)NCC4=CN=CC=C4)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)NCC4=CN=CC=C4)OCC

InChI

InChI=1S/C27H31N3O4S/c1-4-33-19-9-11-20(22(14-19)34-5-2)25(31)30-27-24(21-10-8-17(3)13-23(21)35-27)26(32)29-16-18-7-6-12-28-15-18/h6-7,9,11-12,14-15,17H,4-5,8,10,13,16H2,1-3H3,(H,29,32)(H,30,31)