N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C20H22N4O7S MolecularWeight: 462.47628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N4O7S/c1-3-4-7-31-17-6-5-13(8-18(17)30-2)12-21-20(32)22-19(25)14-9-15(23(26)27)11-16(10-14)24(28)29/h5-6,8-11H,3-4,7,12H2,1-2H3,(H2,21,22,25,32)