2-[(3,5-dinitrophenyl)carbonylamino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-[(3,5-dinitrophenyl)carbonylamino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(3,5-dinitrobenzoyl)amino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[(3,5-dinitrobenzoyl)amino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CNC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6S/c1-19-17(24)15-13-5-3-2-4-6-14(13)29-18(15)20-16(23)10-7-11(21(25)26)9-12(8-10)22(27)28/h7-9H,2-6H2,1H3,(H,19,24)(H,20,23)