[(2S)-2-[bis(phenylmethyl)amino]propyl] 4-(2-sulfanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxylate

Systemtic Name: [(2S)-2-[bis(phenylmethyl)amino]propyl] 4-(2-sulfanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxylate Openeye Name: [(2S)-2-(dibenzylamino)propyl] 4-(2-thioxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate CAS Name: 4-(2-sulfanylidene-3H-benzimidazol-1-yl)-1-piperidinecarboxylic acid [(2S)-2-[bis(phenylmethyl)amino]propyl] ester IUPAC Name: [(2S)-2-(dibenzylamino)propyl] 4-(2-sulfanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxylate Traditional Name: 4-(2-thioxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid [(2S)-2-(dibenzylamino)propyl] ester Formula: C30H34N4O2S MolecularWeight: 514.68156

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)N1CCC(CC1)N2C3=CC=CC=C3NC2=S)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C[C@@H](COC(=O)N1CCC(CC1)N2C3=CC=CC=C3NC2=S)N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H34N4O2S/c1-23(33(20-24-10-4-2-5-11-24)21-25-12-6-3-7-13-25)22-36-30(35)32-18-16-26(17-19-32)34-28-15-9-8-14-27(28)31-29(34)37/h2-15,23,26H,16-22H2,1H3,(H,31,37)/t23-/m0/s1