[1-[(2-tert-butylsulfanylphenyl)methyl]piperidin-2-yl]methyl 4-(1H-indol-4-yl)piperazine-1-carboxylate

Systemtic Name: [1-[(2-tert-butylsulfanylphenyl)methyl]piperidin-2-yl]methyl 4-(1H-indol-4-yl)piperazine-1-carboxylate Openeye Name: [1-[(2-tert-butylsulfanylphenyl)methyl]-2-piperidyl]methyl 4-(1H-indol-4-yl)piperazine-1-carboxylate CAS Name: 4-(1H-indol-4-yl)-1-piperazinecarboxylic acid [1-[[2-(tert-butylthio)phenyl]methyl]-2-piperidinyl]methyl ester IUPAC Name: [1-[(2-tert-butylsulfanylphenyl)methyl]piperidin-2-yl]methyl 4-(1H-indol-4-yl)piperazine-1-carboxylate Traditional Name: 4-(1H-indol-4-yl)piperazine-1-carboxylic acid [1-[2-(tert-butylthio)benzyl]-2-piperidyl]methyl ester Formula: C30H40N4O2S MolecularWeight: 520.7292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC=C1CN2CCCCC2COC(=O)N3CCN(CC3)C4=CC=CC5=C4C=CN5

Isomeric SMILES

CC(C)(C)SC1=CC=CC=C1CN2CCCCC2COC(=O)N3CCN(CC3)C4=CC=CC5=C4C=CN5

InChI

InChI=1S/C30H40N4O2S/c1-30(2,3)37-28-13-5-4-9-23(28)21-34-16-7-6-10-24(34)22-36-29(35)33-19-17-32(18-20-33)27-12-8-11-26-25(27)14-15-31-26/h4-5,8-9,11-15,24,31H,6-7,10,16-22H2,1-3H3