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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O4S/c26-20(15-10-4-6-12-17(15)25(28)29)24-22-19(16-11-5-7-13-18(16)30-22)21(27)23-14-8-2-1-3-9-14/h1-4,6,8-10,12H,5,7,11,13H2,(H,23,27)(H,24,26)