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

Systemtic Name: N-(2-bromophenyl)-6-tert-butyl-2-[(4-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(2-bromophenyl)-6-tert-butyl-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(2-bromophenyl)-6-tert-butyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(2-bromophenyl)-6-tert-butyl-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(2-bromophenyl)-6-tert-butyl-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H26BrN3O4S MolecularWeight: 556.47134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3Br)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3Br)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26BrN3O4S/c1-26(2,3)16-10-13-18-21(14-16)35-25(22(18)24(32)28-20-7-5-4-6-19(20)27)29-23(31)15-8-11-17(12-9-15)30(33)34/h4-9,11-12,16H,10,13-14H2,1-3H3,(H,28,32)(H,29,31)