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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)CN2C(=O)C3=CC=CC=C3C=N2

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)CN2C(=O)C3=CC=CC=C3C=N2

InChI

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