4-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one

Systemtic Name: 4-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one Openeye Name: 4-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-1-ethyl-quinolin-2-one CAS Name: 4-[[2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]thio]-1-ethyl-2-quinolinone IUPAC Name: 4-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1-ethylquinolin-2-one Traditional Name: 4-[[2-[4-(2,5-dimethylphenyl)piperazino]-2-keto-ethyl]thio]-1-ethyl-carbostyril Formula: C25H29N3O2S MolecularWeight: 435.58166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C25H29N3O2S/c1-4-28-21-8-6-5-7-20(21)23(16-24(28)29)31-17-25(30)27-13-11-26(12-14-27)22-15-18(2)9-10-19(22)3/h5-10,15-16H,4,11-14,17H2,1-3H3