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

Systemtic Name: N-(2-methylphenyl)-2-[(4-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(4-nitrobenzoyl)amino]-N-(o-tolyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(2-methylphenyl)-2-[[(4-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(2-methylphenyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(4-nitrobenzoyl)amino]-N-(o-tolyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O4S/c1-14-6-2-4-8-18(14)24-22(28)20-17-7-3-5-9-19(17)31-23(20)25-21(27)15-10-12-16(13-11-15)26(29)30/h2,4,6,8,10-13H,3,5,7,9H2,1H3,(H,24,28)(H,25,27)