methyl 4-[[2-(4-chlorophenyl)sulfanylethanoylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-(4-chlorophenyl)sulfanylethanoylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[2-[(4-chlorophenyl)thio]acetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C14H18ClN3O3S2 MolecularWeight: 375.89402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=O)CSC1=CC=C(C=C1)Cl

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=O)CSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H18ClN3O3S2/c1-21-13(20)3-2-8-16-14(22)18-17-12(19)9-23-11-6-4-10(15)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,17,19)(H2,16,18,22)