1-(4-methylphenyl)-3-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]thiourea

Systemtic Name: 1-(4-methylphenyl)-3-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]thiourea Openeye Name: 1-[[2-(1-oxophthalazin-2-yl)acetyl]amino]-3-(p-tolyl)thiourea CAS Name: 1-(4-methylphenyl)-3-[[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]amino]thiourea IUPAC Name: 1-(4-methylphenyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]thiourea Traditional Name: 1-[[2-(1-ketophthalazin-2-yl)acetyl]amino]-3-(p-tolyl)thiourea Formula: C18H17N5O2S MolecularWeight: 367.42488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=O)C3=CC=CC=C3C=N2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=O)C3=CC=CC=C3C=N2

InChI

InChI=1S/C18H17N5O2S/c1-12-6-8-14(9-7-12)20-18(26)22-21-16(24)11-23-17(25)15-5-3-2-4-13(15)10-19-23/h2-10H,11H2,1H3,(H,21,24)(H2,20,22,26)