S-[(2-methylquinolin-3-yl)amino] 4-(3,5-dimethylphenyl)piperazine-1-carbothioate

Systemtic Name: S-[(2-methylquinolin-3-yl)amino] 4-(3,5-dimethylphenyl)piperazine-1-carbothioate Openeye Name: S-[(2-methyl-3-quinolyl)amino] 4-(3,5-dimethylphenyl)piperazine-1-carbothioate CAS Name: 4-(3,5-dimethylphenyl)-1-piperazinecarbothioic acid S-[(2-methyl-3-quinolinyl)amino] ester IUPAC Name: S-[(2-methylquinolin-3-yl)amino] 4-(3,5-dimethylphenyl)piperazine-1-carbothioate Traditional Name: 4-(3,5-dimethylphenyl)piperazine-1-carbothioic acid S-[(2-methyl-3-quinolyl)amino] ester Formula: C23H26N4OS MolecularWeight: 406.54374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCN(CC2)C(=O)SNC3=CC4=CC=CC=C4N=C3C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCN(CC2)C(=O)SNC3=CC4=CC=CC=C4N=C3C)C

InChI

InChI=1S/C23H26N4OS/c1-16-12-17(2)14-20(13-16)26-8-10-27(11-9-26)23(28)29-25-22-15-19-6-4-5-7-21(19)24-18(22)3/h4-7,12-15,25H,8-11H2,1-3H3