S-[(6S)-6-(tert-butylcarbamothioylamino)-7-(cyclopentylamino)-7-oxidanylidene-heptyl] 2-methylpropanethioate

Systemtic Name: S-[(6S)-6-(tert-butylcarbamothioylamino)-7-(cyclopentylamino)-7-oxidanylidene-heptyl] 2-methylpropanethioate Openeye Name: S-[(6S)-6-(tert-butylcarbamothioylamino)-7-(cyclopentylamino)-7-oxo-heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[(6S)-6-[[(tert-butylamino)-sulfanylidenemethyl]amino]-7-(cyclopentylamino)-7-oxoheptyl] ester IUPAC Name: S-[(6S)-6-(tert-butylcarbamothioylamino)-7-(cyclopentylamino)-7-oxoheptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(6S)-6-(tert-butylthiocarbamoylamino)-7-(cyclopentylamino)-7-keto-heptyl] ester Formula: C21H39N3O2S2 MolecularWeight: 429.68326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H39N3O2S2/c1-15(2)19(26)28-14-10-6-7-13-17(23-20(27)24-21(3,4)5)18(25)22-16-11-8-9-12-16/h15-17H,6-14H2,1-5H3,(H,22,25)(H2,23,24,27)/t17-/m0/s1