1-methyl-3-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]thiourea

Systemtic Name: 1-methyl-3-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]thiourea Openeye Name: 1-[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]-3-methyl-thiourea CAS Name: 1-methyl-3-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]thiourea IUPAC Name: 1-[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]-3-methylthiourea Traditional Name: 1-[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]-3-methyl-thiourea Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CNC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

InChI

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