S-[2-[methyl-[2-(3-methylbutylcarbamoylamino)ethanoyl]amino]ethyl] ethanethioate

Systemtic Name: S-[2-[methyl-[2-(3-methylbutylcarbamoylamino)ethanoyl]amino]ethyl] ethanethioate Openeye Name: S-[2-[[2-(isopentylcarbamoylamino)acetyl]-methyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[methyl-[2-[[(3-methylbutylamino)-oxomethyl]amino]-1-oxoethyl]amino]ethyl] ester IUPAC Name: S-[2-[methyl-[2-(3-methylbutylcarbamoylamino)acetyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-(isoamylcarbamoylamino)acetyl]-methyl-amino]ethyl] ester Formula: C13H25N3O3S MolecularWeight: 303.4209

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NCC(=O)N(C)CCSC(=O)C

Isomeric SMILES

CC(C)CCNC(=O)NCC(=O)N(C)CCSC(=O)C

InChI

InChI=1S/C13H25N3O3S/c1-10(2)5-6-14-13(19)15-9-12(18)16(4)7-8-20-11(3)17/h10H,5-9H2,1-4H3,(H2,14,15,19)