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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NCCC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NCCC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C28H31BrN2O2S/c1-28(2,3)20-12-13-22-23(17-20)34-27(31-25(32)19-10-7-11-21(29)16-19)24(22)26(33)30-15-14-18-8-5-4-6-9-18/h4-11,16,20H,12-15,17H2,1-3H3,(H,30,33)(H,31,32)