4-nitro-N-[3-oxidanylidene-3-[2-(propan-2-ylcarbamothioyl)hydrazinyl]propyl]benzamide

Systemtic Name: 4-nitro-N-[3-oxidanylidene-3-[2-(propan-2-ylcarbamothioyl)hydrazinyl]propyl]benzamide Openeye Name: N-[3-[2-(isopropylcarbamothioyl)hydrazino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[3-oxo-3-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazo]propyl]benzamide IUPAC Name: 4-nitro-N-[3-oxo-3-[2-(propan-2-ylcarbamothioyl)hydrazinyl]propyl]benzamide Traditional Name: N-[3-[N'-(isopropylthiocarbamoyl)hydrazino]-3-keto-propyl]-4-nitro-benzamide Formula: C14H19N5O4S MolecularWeight: 353.39676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5O4S/c1-9(2)16-14(24)18-17-12(20)7-8-15-13(21)10-3-5-11(6-4-10)19(22)23/h3-6,9H,7-8H2,1-2H3,(H,15,21)(H,17,20)(H2,16,18,24)