O-[(2S)-2-[bis(phenylmethyl)amino]propyl] 4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carbothioate

Systemtic Name: O-[(2S)-2-[bis(phenylmethyl)amino]propyl] 4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carbothioate Openeye Name: O-[(2S)-2-(dibenzylamino)propyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioate CAS Name: 4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinecarbothioic acid O-[(2S)-2-[bis(phenylmethyl)amino]propyl] ester IUPAC Name: O-[(2S)-2-(dibenzylamino)propyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioate Traditional Name: 4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carbothioic acid O-[(2S)-2-(dibenzylamino)propyl] ester Formula: C30H34N4O2S MolecularWeight: 514.68156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](COC(=S)N1CCC(CC1)N2C3=CC=CC=C3NC2=O)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(37)32-18-16-26(17-19-32)34-28-15-9-8-14-27(28)31-29(34)35/h2-15,23,26H,16-22H2,1H3,(H,31,35)/t23-/m0/s1