7-[4-(4-methylphenyl)carbothioylpiperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one

Systemtic Name: 7-[4-(4-methylphenyl)carbothioylpiperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one Openeye Name: 7-[4-(4-methylbenzenecarbothioyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one CAS Name: 7-[4-[(4-methylphenyl)-sulfanylidenemethyl]-1-piperazinyl]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: 7-[4-(4-methylbenzenecarbothioyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one Traditional Name: 7-[4-(4-methylthiobenzoyl)piperazino]-3,4-dihydrocarbostyril Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)N2CCN(CC2)C3=CC4=C(CCC(=O)N4)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)N2CCN(CC2)C3=CC4=C(CCC(=O)N4)C=C3

InChI

InChI=1S/C21H23N3OS/c1-15-2-4-17(5-3-15)21(26)24-12-10-23(11-13-24)18-8-6-16-7-9-20(25)22-19(16)14-18/h2-6,8,14H,7,9-13H2,1H3,(H,22,25)