S-[3-ethanoylsulfanyl-2-methyl-4-(methylamino)-3-[(3-methylbutylcarbamoylamino)-phenyl-methyl]-4-oxidanylidene-butyl] ethanethioate

Systemtic Name: S-[3-ethanoylsulfanyl-2-methyl-4-(methylamino)-3-[(3-methylbutylcarbamoylamino)-phenyl-methyl]-4-oxidanylidene-butyl] ethanethioate Openeye Name: S-[3-acetylsulfanyl-3-[(isopentylcarbamoylamino)-phenyl-methyl]-2-methyl-4-(methylamino)-4-oxo-butyl] ethanethioate CAS Name: ethanethioic acid S-[3-(acetylthio)-2-methyl-4-(methylamino)-3-[[[(3-methylbutylamino)-oxomethyl]amino]-phenylmethyl]-4-oxobutyl] ester IUPAC Name: S-[3-acetylsulfanyl-2-methyl-4-(methylamino)-3-[(3-methylbutylcarbamoylamino)-phenylmethyl]-4-oxobutyl] ethanethioate Traditional Name: ethanethioic acid S-[3-(acetylthio)-3-[(isoamylcarbamoylamino)-phenyl-methyl]-4-keto-2-methyl-4-(methylamino)butyl] ester Formula: C23H35N3O4S2 MolecularWeight: 481.6717

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(C1=CC=CC=C1)C(C(C)CSC(=O)C)(C(=O)NC)SC(=O)C

Isomeric SMILES

CC(C)CCNC(=O)NC(C1=CC=CC=C1)C(C(C)CSC(=O)C)(C(=O)NC)SC(=O)C

InChI

InChI=1S/C23H35N3O4S2/c1-15(2)12-13-25-22(30)26-20(19-10-8-7-9-11-19)23(21(29)24-6,32-18(5)28)16(3)14-31-17(4)27/h7-11,15-16,20H,12-14H2,1-6H3,(H,24,29)(H2,25,26,30)