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

Systemtic Name: 2-[(4-bromophenyl)carbonylamino]-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(4-bromobenzoyl)amino]-N-(p-tolyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(4-bromobenzoyl)amino]-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(4-bromobenzoyl)amino]-N-(p-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=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H21BrN2O2S/c1-14-6-12-17(13-7-14)25-22(28)20-18-4-2-3-5-19(18)29-23(20)26-21(27)15-8-10-16(24)11-9-15/h6-13H,2-5H2,1H3,(H,25,28)(H,26,27)