ethyl 4-[2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[(1-phenethyl-2-benzimidazolyl)thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(1-phenethylbenzimidazol-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3S/c1-2-31-24(30)27-16-14-26(15-17-27)22(29)18-32-23-25-20-10-6-7-11-21(20)28(23)13-12-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3