tert-butyl 4-[2-[2-tert-butyl-4-[(4-methylsulfanylphenyl)-phenyl-methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[2-tert-butyl-4-[(4-methylsulfanylphenyl)-phenyl-methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[2-tert-butyl-4-[(4-methylsulfanylphenyl)-phenyl-methyl]piperazin-1-yl]-2-oxo-ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[2-tert-butyl-4-[[4-(methylthio)phenyl]-phenylmethyl]-1-piperazinyl]-2-oxoethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[2-tert-butyl-4-[(4-methylsulfanylphenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[2-tert-butyl-4-[[4-(methylthio)phenyl]-phenyl-methyl]piperazino]-2-keto-ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C34H49N3O3S MolecularWeight: 579.83616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CCN1C(=O)CC2CCN(CC2)C(=O)OC(C)(C)C)C(C3=CC=CC=C3)C4=CC=C(C=C4)SC

Isomeric SMILES

CC(C)(C)C1CN(CCN1C(=O)CC2CCN(CC2)C(=O)OC(C)(C)C)C(C3=CC=CC=C3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C34H49N3O3S/c1-33(2,3)29-24-36(31(26-11-9-8-10-12-26)27-13-15-28(41-7)16-14-27)21-22-37(29)30(38)23-25-17-19-35(20-18-25)32(39)40-34(4,5)6/h8-16,25,29,31H,17-24H2,1-7H3