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

Systemtic Name: 2-[(3,5-dinitrophenyl)carbonylamino]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(3,5-dinitrobenzoyl)amino]-N-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(3,5-dinitrobenzoyl)amino]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-N-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H16N4O6S MolecularWeight: 404.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O6S/c1-18-16(23)14-12-4-2-3-5-13(12)28-17(14)19-15(22)9-6-10(20(24)25)8-11(7-9)21(26)27/h6-8H,2-5H2,1H3,(H,18,23)(H,19,22)