S-[2-[1,3-benzothiazol-2-ylmethylcarbamoyl(2-cyclohexylethyl)amino]ethyl] ethanethioate hydrochloride

Systemtic Name: S-[2-[1,3-benzothiazol-2-ylmethylcarbamoyl(2-cyclohexylethyl)amino]ethyl] ethanethioate hydrochloride Openeye Name: S-[2-[1,3-benzothiazol-2-ylmethylcarbamoyl(2-cyclohexylethyl)amino]ethyl] ethanethioate hydrochloride CAS Name: ethanethioic acid S-[2-[[(1,3-benzothiazol-2-ylmethylamino)-oxomethyl]-(2-cyclohexylethyl)amino]ethyl] ester hydrochloride IUPAC Name: S-[2-[1,3-benzothiazol-2-ylmethylcarbamoyl(2-cyclohexylethyl)amino]ethyl] ethanethioate hydrochloride Traditional Name: ethanethioic acid S-[2-[1,3-benzothiazol-2-ylmethylcarbamoyl(2-cyclohexylethyl)amino]ethyl] ester hydrochloride Formula: C21H30ClN3O2S2 MolecularWeight: 456.0648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCC2=NC3=CC=CC=C3S2.Cl

Isomeric SMILES

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCC2=NC3=CC=CC=C3S2.Cl

InChI

InChI=1S/C21H29N3O2S2.ClH/c1-16(25)27-14-13-24(12-11-17-7-3-2-4-8-17)21(26)22-15-20-23-18-9-5-6-10-19(18)28-20;/h5-6,9-10,17H,2-4,7-8,11-15H2,1H3,(H,22,26);1H