2-[[3-[(6-methoxy-1-methyl-2-oxidanylidene-3,4-dihydroquinolin-7-yl)methylamino]-2-phenyl-piperidin-1-yl]carbothioylamino]ethylcarbamic acid

Systemtic Name: 2-[[3-[(6-methoxy-1-methyl-2-oxidanylidene-3,4-dihydroquinolin-7-yl)methylamino]-2-phenyl-piperidin-1-yl]carbothioylamino]ethylcarbamic acid Openeye Name: 2-[[3-[(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)methylamino]-2-phenyl-piperidine-1-carbothioyl]amino]ethylcarbamic acid CAS Name: 2-[[[3-[(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)methylamino]-2-phenyl-1-piperidinyl]-sulfanylidenemethyl]amino]ethylcarbamic acid IUPAC Name: 2-[[3-[(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)methylamino]-2-phenylpiperidine-1-carbothioyl]amino]ethylcarbamic acid Traditional Name: 2-[[3-[(2-keto-6-methoxy-1-methyl-3,4-dihydroquinolin-7-yl)methylamino]-2-phenyl-piperidine-1-carbothioyl]amino]ethylcarbamic acid Formula: C27H35N5O4S MolecularWeight: 525.6629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O4S/c1-31-22-15-20(23(36-2)16-19(22)10-11-24(31)33)17-30-21-9-6-14-32(25(21)18-7-4-3-5-8-18)26(37)28-12-13-29-27(34)35/h3-5,7-8,15-16,21,25,29-30H,6,9-14,17H2,1-2H3,(H,28,37)(H,34,35)