S-[2-[1H-benzimidazol-2-ylmethylcarbamoyl(2-cyclohexylethyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[1H-benzimidazol-2-ylmethylcarbamoyl(2-cyclohexylethyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[1H-benzimidazol-2-ylmethylcarbamoyl(2-cyclohexylethyl)amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[(1H-benzimidazol-2-ylmethylamino)-oxomethyl]-(2-cyclohexylethyl)amino]ethyl] ester IUPAC Name: S-[2-[1H-benzimidazol-2-ylmethylcarbamoyl(2-cyclohexylethyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[1H-benzimidazol-2-ylmethylcarbamoyl(2-cyclohexylethyl)amino]ethyl] ester Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H30N4O2S/c1-16(26)28-14-13-25(12-11-17-7-3-2-4-8-17)21(27)22-15-20-23-18-9-5-6-10-19(18)24-20/h5-6,9-10,17H,2-4,7-8,11-15H2,1H3,(H,22,27)(H,23,24)