[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]acetic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]acetic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H27N3O5S MolecularWeight: 409.49978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)OCC(=O)NC(=O)NCCC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)OCC(=O)NC(=O)NCCC(C)C

InChI

InChI=1S/C19H27N3O5S/c1-13(2)7-8-20-19(26)22-16(23)10-27-18(25)12-28-11-17(24)21-15-6-4-5-14(3)9-15/h4-6,9,13H,7-8,10-12H2,1-3H3,(H,21,24)(H2,20,22,23,26)