3-[(6-methoxy-1-methyl-2-oxidanylidene-3,4-dihydroquinolin-7-yl)methylamino]-2-phenyl-piperidine-1-carbothioic S-acid

Systemtic Name: 3-[(6-methoxy-1-methyl-2-oxidanylidene-3,4-dihydroquinolin-7-yl)methylamino]-2-phenyl-piperidine-1-carbothioic S-acid Openeye Name: 3-[(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)methylamino]-2-phenyl-piperidine-1-carbothioic S-acid CAS Name: 3-[(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)methylamino]-2-phenyl-1-piperidinecarbothioic S-acid IUPAC Name: 3-[(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)methylamino]-2-phenylpiperidine-1-carbothioic S-acid Traditional Name: 3-[(2-keto-6-methoxy-1-methyl-3,4-dihydroquinolin-7-yl)methylamino]-2-phenyl-piperidine-1-carbothioic S-acid Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CCC2=CC(=C(C=C21)CNC3CCCN(C3C4=CC=CC=C4)C(=O)S)OC

Isomeric SMILES

CN1C(=O)CCC2=CC(=C(C=C21)CNC3CCCN(C3C4=CC=CC=C4)C(=O)S)OC

InChI

InChI=1S/C24H29N3O3S/c1-26-20-13-18(21(30-2)14-17(20)10-11-22(26)28)15-25-19-9-6-12-27(24(29)31)23(19)16-7-4-3-5-8-16/h3-5,7-8,13-14,19,23,25H,6,9-12,15H2,1-2H3,(H,29,31)