1-(3-chloranyl-2-methyl-phenyl)-3-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]thiourea Formula: C18H16ClN5O2S MolecularWeight: 401.86994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

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