methyl 4-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]carbamothioylamino]butanoate CAS Name: 4-[[[2-[(2-amino-2-oxoethyl)thio]anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-amino-2-oxoethyl)sulfanylphenyl]carbamothioylamino]butanoate Traditional Name: 4-[[2-[(2-amino-2-keto-ethyl)thio]phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C14H19N3O3S2 MolecularWeight: 341.44896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3S2/c1-20-13(19)7-4-8-16-14(21)17-10-5-2-3-6-11(10)22-9-12(15)18/h2-3,5-6H,4,7-9H2,1H3,(H2,15,18)(H2,16,17,21)