3-[[4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonylcyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[[4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonylcyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[4-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]cyclohexyl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[4-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[[4-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]cyclohexyl]methyl]-2-thioxo-1H-quinazolin-4-one Formula: C28H34N4O2S MolecularWeight: 490.66016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3CCC(CC3)CN4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3CCC(CC3)CN4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C28H34N4O2S/c1-19-6-5-7-23(16-19)31-15-14-30(17-20(31)2)26(33)22-12-10-21(11-13-22)18-32-27(34)24-8-3-4-9-25(24)29-28(32)35/h3-9,16,20-22H,10-15,17-18H2,1-2H3,(H,29,35)