1-(4-chlorophenyl)-3-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]thiourea CAS Name: 1-(4-chlorophenyl)-3-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]thiourea Formula: C18H16ClN5O2S MolecularWeight: 401.86994

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NNC(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NNC(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN5O2S/c1-24-17(26)14-5-3-2-4-13(14)15(23-24)10-16(25)21-22-18(27)20-12-8-6-11(19)7-9-12/h2-9H,10H2,1H3,(H,21,25)(H2,20,22,27)