N-[bis(prop-2-enyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[bis(prop-2-enyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-(diallylcarbamothioyl)-3,5-dinitro-benzamide CAS Name: N-[[bis(prop-2-enyl)amino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[bis(prop-2-enyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-(diallylthiocarbamoyl)-3,5-dinitro-benzamide Formula: C14H14N4O5S MolecularWeight: 350.34976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O5S/c1-3-5-16(6-4-2)14(24)15-13(19)10-7-11(17(20)21)9-12(8-10)18(22)23/h3-4,7-9H,1-2,5-6H2,(H,15,19,24)