S-[4-aminocarbonyl-1-[[3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]amino]-6-methyl-1-oxidanylidene-heptan-3-yl] ethanethioate

Systemtic Name: S-[4-aminocarbonyl-1-[[3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]amino]-6-methyl-1-oxidanylidene-heptan-3-yl] ethanethioate Openeye Name: S-[2-carbamoyl-1-[2-[[1-[(4-methoxyphenyl)methyl]-2-(methylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl]-4-methyl-pentyl] ethanethioate CAS Name: ethanethioic acid S-[4-carbamoyl-1-[[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-6-methyl-1-oxoheptan-3-yl] ester IUPAC Name: S-[4-carbamoyl-1-[[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-6-methyl-1-oxoheptan-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[2-carbamoyl-1-[2-keto-2-[[2-keto-2-(methylamino)-1-p-anisyl-ethyl]amino]ethyl]-4-methyl-pentyl] ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC)SC(=O)C)C(=O)N

Isomeric SMILES

CC(C)CC(C(CC(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC)SC(=O)C)C(=O)N

InChI

InChI=1S/C22H33N3O5S/c1-13(2)10-17(21(23)28)19(31-14(3)26)12-20(27)25-18(22(29)24-4)11-15-6-8-16(30-5)9-7-15/h6-9,13,17-19H,10-12H2,1-5H3,(H2,23,28)(H,24,29)(H,25,27)