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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C27H29BrN2O2S/c1-27(2,3)19-12-13-21-22(15-19)33-26(30-24(31)18-10-7-11-20(28)14-18)23(21)25(32)29-16-17-8-5-4-6-9-17/h4-11,14,19H,12-13,15-16H2,1-3H3,(H,29,32)(H,30,31)