1-(3-chlorophenyl)-3-[4-[(4-methoxyphenyl)amino]phthalazin-6-yl]thiourea

Systemtic Name: 1-(3-chlorophenyl)-3-[4-[(4-methoxyphenyl)amino]phthalazin-6-yl]thiourea Openeye Name: 1-(3-chlorophenyl)-3-[4-(4-methoxyanilino)phthalazin-6-yl]thiourea CAS Name: 1-(3-chlorophenyl)-3-[4-(4-methoxyanilino)-6-phthalazinyl]thiourea IUPAC Name: 1-(3-chlorophenyl)-3-[4-(4-methoxyanilino)phthalazin-6-yl]thiourea Traditional Name: 1-(3-chlorophenyl)-3-[4-(p-anisidino)phthalazin-6-yl]thiourea Formula: C22H18ClN5OS MolecularWeight: 435.92922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C3C=C(C=CC3=CN=N2)NC(=S)NC4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C3C=C(C=CC3=CN=N2)NC(=S)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H18ClN5OS/c1-29-19-9-7-16(8-10-19)25-21-20-12-18(6-5-14(20)13-24-28-21)27-22(30)26-17-4-2-3-15(23)11-17/h2-13H,1H3,(H,25,28)(H2,26,27,30)