S-[3-methyl-1-(methylamino)-2-[(3-methylbutylcarbamoylamino)-phenyl-methyl]-1-oxidanylidene-4-phenylsulfanyl-butan-2-yl] ethanethioate

Systemtic Name: S-[3-methyl-1-(methylamino)-2-[(3-methylbutylcarbamoylamino)-phenyl-methyl]-1-oxidanylidene-4-phenylsulfanyl-butan-2-yl] ethanethioate Openeye Name: S-[1-[(isopentylcarbamoylamino)-phenyl-methyl]-2-methyl-1-(methylcarbamoyl)-3-phenylsulfanyl-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-methyl-1-(methylamino)-2-[[[(3-methylbutylamino)-oxomethyl]amino]-phenylmethyl]-1-oxo-4-(phenylthio)butan-2-yl] ester IUPAC Name: S-[3-methyl-1-(methylamino)-2-[(3-methylbutylcarbamoylamino)-phenylmethyl]-1-oxo-4-phenylsulfanylbutan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[(isoamylcarbamoylamino)-phenyl-methyl]-2-methyl-1-(methylcarbamoyl)-3-(phenylthio)propyl] ester Formula: C27H37N3O3S2 MolecularWeight: 515.73098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(C1=CC=CC=C1)C(C(C)CSC2=CC=CC=C2)(C(=O)NC)SC(=O)C

Isomeric SMILES

CC(C)CCNC(=O)NC(C1=CC=CC=C1)C(C(C)CSC2=CC=CC=C2)(C(=O)NC)SC(=O)C

InChI

InChI=1S/C27H37N3O3S2/c1-19(2)16-17-29-26(33)30-24(22-12-8-6-9-13-22)27(25(32)28-5,35-21(4)31)20(3)18-34-23-14-10-7-11-15-23/h6-15,19-20,24H,16-18H2,1-5H3,(H,28,32)(H2,29,30,33)