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

Systemtic Name: 6-methyl-2-[(3-phenoxyphenyl)carbonylamino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-methyl-2-[(3-phenoxybenzoyl)amino]-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-methyl-2-[[oxo-(3-phenoxyphenyl)methyl]amino]-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-methyl-2-[(3-phenoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-methyl-2-[(3-phenoxybenzoyl)amino]-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NCC3=CN=CC=C3)NC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)NCC3=CN=CC=C3)NC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H27N3O3S/c1-19-12-13-24-25(15-19)36-29(26(24)28(34)31-18-20-7-6-14-30-17-20)32-27(33)21-8-5-11-23(16-21)35-22-9-3-2-4-10-22/h2-11,14,16-17,19H,12-13,15,18H2,1H3,(H,31,34)(H,32,33)