6-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]carbonyl-3,4-dihydro-1H-quinolin-2-one hydrochloride

Systemtic Name: 6-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]carbonyl-3,4-dihydro-1H-quinolin-2-one hydrochloride Openeye Name: 6-[4-[(4-methylsulfanylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one hydrochloride CAS Name: 6-[[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-quinolin-2-one hydrochloride IUPAC Name: 6-[4-[(4-methylsulfanylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one hydrochloride Traditional Name: 6-[4-[4-(methylthio)benzyl]piperazine-1-carbonyl]-3,4-dihydrocarbostyril hydrochloride Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(=O)CC4.Cl

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(=O)CC4.Cl

InChI

InChI=1S/C22H25N3O2S.ClH/c1-28-19-6-2-16(3-7-19)15-24-10-12-25(13-11-24)22(27)18-4-8-20-17(14-18)5-9-21(26)23-20;/h2-4,6-8,14H,5,9-13,15H2,1H3,(H,23,26);1H