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

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

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O6S/c1-8-2-3-12-13(4-8)28-17(14(12)15(18)22)19-16(23)9-5-10(20(24)25)7-11(6-9)21(26)27/h5-8H,2-4H2,1H3,(H2,18,22)(H,19,23)