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

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(2-chloro-5-nitro-benzoyl)amino]-N-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(2-chloro-5-nitrobenzoyl)amino]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(2-chloro-5-nitro-benzoyl)amino]-N-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H16ClN3O4S/c1-19-16(23)14-10-4-2-3-5-13(10)26-17(14)20-15(22)11-8-9(21(24)25)6-7-12(11)18/h6-8H,2-5H2,1H3,(H,19,23)(H,20,22)