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

Systemtic Name: 6-tert-butyl-N-(4-methoxyphenyl)-2-[(4-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-N-(4-methoxyphenyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-N-(4-methoxyphenyl)-2-[[(4-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-N-(4-methoxyphenyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-N-(4-methoxyphenyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)OC)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)OC)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H29N3O5S/c1-27(2,3)17-7-14-21-22(15-17)36-26(29-24(31)16-5-10-19(11-6-16)30(33)34)23(21)25(32)28-18-8-12-20(35-4)13-9-18/h5-6,8-13,17H,7,14-15H2,1-4H3,(H,28,32)(H,29,31)