N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(4-isopentyloxyphenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-(3-methylbutoxy)anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(4-isoamoxyphenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C19H20N4O6S MolecularWeight: 432.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O6S/c1-12(2)7-8-29-17-5-3-14(4-6-17)20-19(30)21-18(24)13-9-15(22(25)26)11-16(10-13)23(27)28/h3-6,9-12H,7-8H2,1-2H3,(H2,20,21,24,30)