tert-butyl 3-[(6-methoxy-1-methyl-2-sulfanylidene-3,4-dihydroquinolin-7-yl)methylamino]-2-phenyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(6-methoxy-1-methyl-2-sulfanylidene-3,4-dihydroquinolin-7-yl)methylamino]-2-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(6-methoxy-1-methyl-2-thioxo-3,4-dihydroquinolin-7-yl)methylamino]-2-phenyl-piperidine-1-carboxylate CAS Name: 3-[(6-methoxy-1-methyl-2-sulfanylidene-3,4-dihydroquinolin-7-yl)methylamino]-2-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(6-methoxy-1-methyl-2-sulfanylidene-3,4-dihydroquinolin-7-yl)methylamino]-2-phenylpiperidine-1-carboxylate Traditional Name: 3-[(6-methoxy-1-methyl-2-thioxo-3,4-dihydroquinolin-7-yl)methylamino]-2-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C28H37N3O3S MolecularWeight: 495.67668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1C2=CC=CC=C2)NCC3=C(C=C4CCC(=S)N(C4=C3)C)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1C2=CC=CC=C2)NCC3=C(C=C4CCC(=S)N(C4=C3)C)OC

InChI

InChI=1S/C28H37N3O3S/c1-28(2,3)34-27(32)31-15-9-12-22(26(31)19-10-7-6-8-11-19)29-18-21-16-23-20(17-24(21)33-5)13-14-25(35)30(23)4/h6-8,10-11,16-17,22,26,29H,9,12-15,18H2,1-5H3