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

Systemtic Name: S-[1-azanyl-4-[[3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-6-methyl-1-oxidanylidene-heptan-3-yl] ethanethioate Openeye Name: S-[1-(2-amino-2-oxo-ethyl)-2-[[1-[(4-methoxyphenyl)methyl]-2-(methylamino)-2-oxo-ethyl]carbamoyl]-4-methyl-pentyl] ethanethioate CAS Name: ethanethioic acid S-[1-amino-4-[[[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-oxomethyl]-6-methyl-1-oxoheptan-3-yl] ester IUPAC Name: S-[1-amino-4-[[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-6-methyl-1-oxoheptan-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-(2-amino-2-keto-ethyl)-2-[[2-keto-2-(methylamino)-1-p-anisyl-ethyl]carbamoyl]-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)N)SC(=O)C)C(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O5S/c1-13(2)10-17(19(12-20(23)27)31-14(3)26)21(28)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,(H2,23,27)(H,24,29)(H,25,28)