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

Systemtic Name: 6-tert-butyl-N-(3,4-dimethylphenyl)-2-[(4-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-N-(3,4-dimethylphenyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-N-(3,4-dimethylphenyl)-2-[[(4-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-N-(3,4-dimethylphenyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-N-(3,4-dimethylphenyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C28H31N3O4S MolecularWeight: 505.62844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C28H31N3O4S/c1-16-6-10-20(14-17(16)2)29-26(33)24-22-13-9-19(28(3,4)5)15-23(22)36-27(24)30-25(32)18-7-11-21(12-8-18)31(34)35/h6-8,10-12,14,19H,9,13,15H2,1-5H3,(H,29,33)(H,30,32)