1-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-3-(3,4-dimethylphenyl)thiourea

Systemtic Name: 1-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-3-(3,4-dimethylphenyl)thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)thiourea Traditional Name: 1-(1,4-diketo-2,3-dihydrophthalazin-5-yl)-3-(3,4-dimethylphenyl)thiourea Formula: C17H16N4O2S MolecularWeight: 340.39954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=CC=CC3=C2C(=O)NNC3=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=CC=CC3=C2C(=O)NNC3=O)C

InChI

InChI=1S/C17H16N4O2S/c1-9-6-7-11(8-10(9)2)18-17(24)19-13-5-3-4-12-14(13)16(23)21-20-15(12)22/h3-8H,1-2H3,(H,20,22)(H,21,23)(H2,18,19,24)