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

Systemtic Name: 2-[(4-bromophenyl)carbonylamino]-6-tert-butyl-N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(4-bromobenzoyl)amino]-6-tert-butyl-N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]-6-tert-butyl-N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(4-bromobenzoyl)amino]-6-tert-butyl-N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(4-bromobenzoyl)amino]-6-tert-butyl-N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C28H31BrN2O2S MolecularWeight: 539.52694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C28H31BrN2O2S/c1-16-6-12-21(14-17(16)2)30-26(33)24-22-13-9-19(28(3,4)5)15-23(22)34-27(24)31-25(32)18-7-10-20(29)11-8-18/h6-8,10-12,14,19H,9,13,15H2,1-5H3,(H,30,33)(H,31,32)