methyl 3-[(4-methylphenyl)methylsulfanyl]-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanoate

Systemtic Name: methyl 3-[(4-methylphenyl)methylsulfanyl]-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanoate Openeye Name: methyl 3-(p-tolylmethylsulfanyl)-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanoate CAS Name: 3-[(4-methylphenyl)methylthio]-2-[[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(4-methylphenyl)methylsulfanyl]-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanoate Traditional Name: 3-[(4-methylbenzyl)thio]-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propionic acid methyl ester Formula: C15H18N4O3S3 MolecularWeight: 398.52342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(C(=O)OC)NC(=O)NC2=NNC(=S)S2

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(C(=O)OC)NC(=O)NC2=NNC(=S)S2

InChI

InChI=1S/C15H18N4O3S3/c1-9-3-5-10(6-4-9)7-24-8-11(12(20)22-2)16-13(21)17-14-18-19-15(23)25-14/h3-6,11H,7-8H2,1-2H3,(H,19,23)(H2,16,17,18,21)