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

Systemtic Name: 2-[(2-nitrophenyl)carbonylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(2-nitrobenzoyl)amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(2-nitrophenyl)-oxomethyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(2-nitrobenzoyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(2-nitrobenzoyl)amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C(=O)N)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C(=O)N)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O4S/c23-20(26)19-16-11-10-14(13-6-2-1-3-7-13)12-18(16)30-22(19)24-21(27)15-8-4-5-9-17(15)25(28)29/h1-9,14H,10-12H2,(H2,23,26)(H,24,27)