N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[2-[(3-methoxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[2-(3-methoxypropylcarbamoyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C19H19N5O7S MolecularWeight: 461.44846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O7S/c1-31-8-4-7-20-18(26)15-5-2-3-6-16(15)21-19(32)22-17(25)12-9-13(23(27)28)11-14(10-12)24(29)30/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,20,26)(H2,21,22,25,32)