methyl 6-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[2-[(2-amino-2-oxoethyl)thio]anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-(2-amino-2-oxoethyl)sulfanylphenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[2-[(2-amino-2-keto-ethyl)thio]phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H23N3O3S2 MolecularWeight: 369.50212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC=CC=C1SCC(=O)N

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC=CC=C1SCC(=O)N

InChI

InChI=1S/C16H23N3O3S2/c1-22-15(21)9-3-2-6-10-18-16(23)19-12-7-4-5-8-13(12)24-11-14(17)20/h4-5,7-8H,2-3,6,9-11H2,1H3,(H2,17,20)(H2,18,19,23)