1-(2-methylprop-2-enyl)-3-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]thiourea

Systemtic Name: 1-(2-methylprop-2-enyl)-3-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]thiourea Openeye Name: 1-[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(2-methylallyl)thiourea CAS Name: 1-(2-methylprop-2-enyl)-3-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]thiourea IUPAC Name: 1-[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]-3-(2-methylprop-2-enyl)thiourea Traditional Name: 1-[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]-3-(2-methylallyl)thiourea Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2S/c1-14(2)12-22-21(29)24-23-19(27)18-16-10-6-7-11-17(16)20(28)26(25-18)13-15-8-4-3-5-9-15/h3-11H,1,12-13H2,2H3,(H,23,27)(H2,22,24,29)