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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4Br

InChI

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