S-[2-methyl-3-oxidanylidene-3-[(2S)-2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylcarbamoyl]pyrrolidin-1-yl]propyl] ethanethioate

Systemtic Name: S-[2-methyl-3-oxidanylidene-3-[(2S)-2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylcarbamoyl]pyrrolidin-1-yl]propyl] ethanethioate Openeye Name: S-[2-methyl-3-oxo-3-[(2S)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylcarbamoyl]pyrrolidin-1-yl]propyl] ethanethioate CAS Name: ethanethioic acid S-[2-methyl-3-oxo-3-[(2S)-2-[oxo-[3-(2-oxo-3H-benzimidazol-1-yl)propylamino]methyl]-1-pyrrolidinyl]propyl] ester IUPAC Name: S-[2-methyl-3-oxo-3-[(2S)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylcarbamoyl]pyrrolidin-1-yl]propyl] ethanethioate Traditional Name: ethanethioic acid S-[3-keto-3-[(2S)-2-[3-(2-keto-3H-benzimidazol-1-yl)propylcarbamoyl]pyrrolidino]-2-methyl-propyl] ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)NCCCN2C3=CC=CC=C3NC2=O

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)NCCCN2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C21H28N4O4S/c1-14(13-30-15(2)26)20(28)24-11-5-9-18(24)19(27)22-10-6-12-25-17-8-4-3-7-16(17)23-21(25)29/h3-4,7-8,14,18H,5-6,9-13H2,1-2H3,(H,22,27)(H,23,29)/t14?,18-/m0/s1