4-(2,5-dimethylphenyl)-N-(4-methyl-2-morpholin-4-yl-quinolin-6-yl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethylphenyl)-N-(4-methyl-2-morpholin-4-yl-quinolin-6-yl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)-N-(4-methyl-2-morpholino-6-quinolyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)-N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)-N-(4-methyl-2-morpholino-6-quinolyl)piperazine-1-carbothioamide Formula: C27H33N5OS MolecularWeight: 475.64882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)N=C(C=C4C)N5CCOCC5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)N=C(C=C4C)N5CCOCC5

InChI

InChI=1S/C27H33N5OS/c1-19-4-5-20(2)25(16-19)30-8-10-32(11-9-30)27(34)28-22-6-7-24-23(18-22)21(3)17-26(29-24)31-12-14-33-15-13-31/h4-7,16-18H,8-15H2,1-3H3,(H,28,34)