S-[(6S)-6-(tert-butylcarbamothioylamino)-7-(cyclopentylamino)-7-oxidanylidene-heptyl] ethanethioate

Systemtic Name: S-[(6S)-6-(tert-butylcarbamothioylamino)-7-(cyclopentylamino)-7-oxidanylidene-heptyl] ethanethioate Openeye Name: S-[(6S)-6-(tert-butylcarbamothioylamino)-7-(cyclopentylamino)-7-oxo-heptyl] ethanethioate CAS Name: ethanethioic acid S-[(6S)-6-[[(tert-butylamino)-sulfanylidenemethyl]amino]-7-(cyclopentylamino)-7-oxoheptyl] ester IUPAC Name: S-[(6S)-6-(tert-butylcarbamothioylamino)-7-(cyclopentylamino)-7-oxoheptyl] ethanethioate Traditional Name: ethanethioic acid S-[(6S)-6-(tert-butylthiocarbamoylamino)-7-(cyclopentylamino)-7-keto-heptyl] ester Formula: C19H35N3O2S2 MolecularWeight: 401.6301

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCC(C(=O)NC1CCCC1)NC(=S)NC(C)(C)C

Isomeric SMILES

CC(=O)SCCCCC[C@@H](C(=O)NC1CCCC1)NC(=S)NC(C)(C)C

InChI

InChI=1S/C19H35N3O2S2/c1-14(23)26-13-9-5-6-12-16(21-18(25)22-19(2,3)4)17(24)20-15-10-7-8-11-15/h15-16H,5-13H2,1-4H3,(H,20,24)(H2,21,22,25)/t16-/m0/s1