4-nitro-N-[(phenylmethyl)-propyl-carbamothioyl]benzamide

Systemtic Name: 4-nitro-N-[(phenylmethyl)-propyl-carbamothioyl]benzamide Openeye Name: N-[benzyl(propyl)carbamothioyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[[(phenylmethyl)-propylamino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[benzyl(propyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[benzyl(propyl)thiocarbamoyl]-4-nitro-benzamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O3S/c1-2-12-20(13-14-6-4-3-5-7-14)18(25)19-17(22)15-8-10-16(11-9-15)21(23)24/h3-11H,2,12-13H2,1H3,(H,19,22,25)