tert-butyl 3-[(6-methoxy-1,3,3-trimethyl-2-sulfanylidene-indol-5-yl)methylamino]-2-phenyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(6-methoxy-1,3,3-trimethyl-2-sulfanylidene-indol-5-yl)methylamino]-2-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(6-methoxy-1,3,3-trimethyl-2-thioxo-indolin-5-yl)methylamino]-2-phenyl-piperidine-1-carboxylate CAS Name: 3-[(6-methoxy-1,3,3-trimethyl-2-sulfanylidene-5-indolyl)methylamino]-2-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(6-methoxy-1,3,3-trimethyl-2-sulfanylideneindol-5-yl)methylamino]-2-phenylpiperidine-1-carboxylate Traditional Name: 3-[(6-methoxy-1,3,3-trimethyl-2-thioxo-indolin-5-yl)methylamino]-2-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C29H39N3O3S MolecularWeight: 509.70326

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=C(C=C2N(C1=S)C)OC)CNC3CCCN(C3C4=CC=CC=C4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(C2=CC(=C(C=C2N(C1=S)C)OC)CNC3CCCN(C3C4=CC=CC=C4)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C29H39N3O3S/c1-28(2,3)35-27(33)32-15-11-14-22(25(32)19-12-9-8-10-13-19)30-18-20-16-21-23(17-24(20)34-7)31(6)26(36)29(21,4)5/h8-10,12-13,16-17,22,25,30H,11,14-15,18H2,1-7H3