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

Systemtic Name: 2-[(3-bromophenyl)carbonylamino]-6-tert-butyl-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(3-bromobenzoyl)amino]-6-tert-butyl-N-(m-tolyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-6-tert-butyl-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(3-bromobenzoyl)amino]-6-tert-butyl-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(3-bromobenzoyl)amino]-6-tert-butyl-N-(m-tolyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H29BrN2O2S MolecularWeight: 525.50036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29BrN2O2S/c1-16-7-5-10-20(13-16)29-25(32)23-21-12-11-18(27(2,3)4)15-22(21)33-26(23)30-24(31)17-8-6-9-19(28)14-17/h5-10,13-14,18H,11-12,15H2,1-4H3,(H,29,32)(H,30,31)