S-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl] butanethioate

Systemtic Name: S-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl] butanethioate Openeye Name: S-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl] butanethioate CAS Name: butanethioic acid S-[5-[[anilino(sulfanylidene)methyl]amino]-1,3,4-thiadiazol-2-yl] ester IUPAC Name: S-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl] butanethioate Traditional Name: butanethioic acid S-[5-(phenylthiocarbamoylamino)-1,3,4-thiadiazol-2-yl] ester Formula: C13H14N4OS3 MolecularWeight: 338.47146

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)SC1=NN=C(S1)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)SC1=NN=C(S1)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C13H14N4OS3/c1-2-6-10(18)20-13-17-16-12(21-13)15-11(19)14-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H2,14,15,16,19)