1-(5-chloranyl-2-methoxy-phenyl)-3-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]thiourea

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]thiourea Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]thiourea CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-[[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]amino]thiourea IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]thiourea Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-[[2-(1-ketophthalazin-2-yl)acetyl]amino]thiourea Formula: C18H16ClN5O3S MolecularWeight: 417.86934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)NNC(=O)CN2C(=O)C3=CC=CC=C3C=N2

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)NNC(=O)CN2C(=O)C3=CC=CC=C3C=N2

InChI

InChI=1S/C18H16ClN5O3S/c1-27-15-7-6-12(19)8-14(15)21-18(28)23-22-16(25)10-24-17(26)13-5-3-2-4-11(13)9-20-24/h2-9H,10H2,1H3,(H,22,25)(H2,21,23,28)