tert-butyl 4-[4-[[C-(1-phenacylbenzimidazol-5-yl)carbonimidoyl]sulfanylmethoxy]phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[C-(1-phenacylbenzimidazol-5-yl)carbonimidoyl]sulfanylmethoxy]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(1-phenacylbenzimidazole-5-carboximidoyl)sulfanylmethoxy]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[[[imino-(1-phenacyl-5-benzimidazolyl)methyl]thio]methoxy]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(1-phenacylbenzimidazole-5-carboximidoyl)sulfanylmethoxy]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[[(1-phenacylbenzimidazole-5-carboximidoyl)thio]methoxy]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C33H36N4O5S MolecularWeight: 600.72774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)OCSC(=N)C3=CC4=C(C=C3)N(C=N4)CC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)OCSC(=N)C3=CC4=C(C=C3)N(C=N4)CC(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H36N4O5S/c1-33(2,3)42-32(39)36-17-15-27(16-18-36)41-26-12-10-25(11-13-26)40-22-43-31(34)24-9-14-29-28(19-24)35-21-37(29)20-30(38)23-7-5-4-6-8-23/h4-14,19,21,27,34H,15-18,20,22H2,1-3H3