2-[(3-bromophenyl)carbonylamino]-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(3-bromophenyl)carbonylamino]-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(3-bromobenzoyl)amino]-N-(o-tolyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(3-bromobenzoyl)amino]-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(3-bromobenzoyl)amino]-N-(o-tolyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H21BrN2O2S MolecularWeight: 469.39404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C23H21BrN2O2S/c1-14-7-2-4-11-18(14)25-22(28)20-17-10-3-5-12-19(17)29-23(20)26-21(27)15-8-6-9-16(24)13-15/h2,4,6-9,11,13H,3,5,10,12H2,1H3,(H,25,28)(H,26,27)