methyl 4-[[5-(ethanoylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-(ethanoylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(acetylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[acetamido(sulfanylidene)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(acetylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(acetylthiocarbamoylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C14H14N4O3S3 MolecularWeight: 382.48096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)NC(=S)NC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C14H14N4O3S3/c1-8(19)15-12(22)16-13-17-18-14(24-13)23-7-9-3-5-10(6-4-9)11(20)21-2/h3-6H,7H2,1-2H3,(H2,15,16,17,19,22)