methyl 2-[(2S)-3-oxidanylidene-1-[2-(1-phenylbenzimidazol-2-yl)sulfanylethanoyl]piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-3-oxidanylidene-1-[2-(1-phenylbenzimidazol-2-yl)sulfanylethanoyl]piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-3-oxo-1-[2-(1-phenylbenzimidazol-2-yl)sulfanylacetyl]piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-[1-oxo-2-[(1-phenyl-2-benzimidazolyl)thio]ethyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-3-oxo-1-[2-(1-phenylbenzimidazol-2-yl)sulfanylacetyl]piperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-[2-[(1-phenylbenzimidazol-2-yl)thio]acetyl]piperazin-2-yl]acetic acid methyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4

Isomeric SMILES

COC(=O)C[C@H]1C(=O)NCCN1C(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O4S/c1-30-20(28)13-18-21(29)23-11-12-25(18)19(27)14-31-22-24-16-9-5-6-10-17(16)26(22)15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3,(H,23,29)/t18-/m0/s1