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

Systemtic Name: 2-[(2,4-dinitrophenyl)carbonylamino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(2,4-dinitrobenzoyl)amino]-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(2,4-dinitrophenyl)-oxomethyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(2,4-dinitrobenzoyl)amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(2,4-dinitrobenzoyl)amino]-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H20N4O6S MolecularWeight: 432.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O6S/c1-2-3-10-4-6-13-15(8-10)30-19(16(13)17(20)24)21-18(25)12-7-5-11(22(26)27)9-14(12)23(28)29/h5,7,9-10H,2-4,6,8H2,1H3,(H2,20,24)(H,21,25)