1-(4-methylphenyl)-3-[4-oxidanylidene-1-(thiophen-3-ylmethyl)-3H-phthalazin-6-yl]urea

Systemtic Name: 1-(4-methylphenyl)-3-[4-oxidanylidene-1-(thiophen-3-ylmethyl)-3H-phthalazin-6-yl]urea Openeye Name: 1-[4-oxo-1-(3-thienylmethyl)-3H-phthalazin-6-yl]-3-(p-tolyl)urea CAS Name: 1-(4-methylphenyl)-3-[4-oxo-1-(3-thiophenylmethyl)-3H-phthalazin-6-yl]urea IUPAC Name: 1-(4-methylphenyl)-3-[4-oxo-1-(thiophen-3-ylmethyl)-3H-phthalazin-6-yl]urea Traditional Name: 1-[4-keto-1-(3-thenyl)-3H-phthalazin-6-yl]-3-(p-tolyl)urea Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CSC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CSC=C4

InChI

InChI=1S/C21H18N4O2S/c1-13-2-4-15(5-3-13)22-21(27)23-16-6-7-17-18(11-16)20(26)25-24-19(17)10-14-8-9-28-12-14/h2-9,11-12H,10H2,1H3,(H,25,26)(H2,22,23,27)