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

Systemtic Name: 1-methyl-1-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-methyl-1-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-methyl-1-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-methyl-1-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]thiourea Traditional Name: 3-benzyl-1-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]-1-methyl-thiourea Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN(C)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN(C)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C19H19N5O2S/c1-23-18(26)15-11-7-6-10-14(15)16(21-23)17(25)22-24(2)19(27)20-12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,20,27)(H,22,25)