3-[2-(cyclohexen-1-yl)ethyl]-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-7-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C24H31N3O2S MolecularWeight: 425.58684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CCCCC4)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CCCCC4)C

InChI

InChI=1S/C24H31N3O2S/c1-16-12-17(2)15-26(14-16)22(28)19-8-9-20-21(13-19)25-24(30)27(23(20)29)11-10-18-6-4-3-5-7-18/h6,8-9,13,16-17H,3-5,7,10-12,14-15H2,1-2H3,(H,25,30)/t16-,17-/m0/s1