3-(2,3-dimethylphenyl)-7-(3-oxidanylidenepiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(2,3-dimethylphenyl)-7-(3-oxidanylidenepiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(2,3-dimethylphenyl)-7-(3-oxopiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(2,3-dimethylphenyl)-7-[oxo-(3-oxo-1-piperazinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(2,3-dimethylphenyl)-7-(3-oxopiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(2,3-dimethylphenyl)-7-(3-ketopiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C21H20N4O3S MolecularWeight: 408.4735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCNC(=O)C4)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCNC(=O)C4)NC2=S)C

InChI

InChI=1S/C21H20N4O3S/c1-12-4-3-5-17(13(12)2)25-20(28)15-7-6-14(10-16(15)23-21(25)29)19(27)24-9-8-22-18(26)11-24/h3-7,10H,8-9,11H2,1-2H3,(H,22,26)(H,23,29)