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

Systemtic Name: S-[5-[(2-methylphenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl] butanethioate Openeye Name: S-[5-(o-tolylcarbamothioylamino)-1,3,4-thiadiazol-2-yl] butanethioate CAS Name: butanethioic acid S-[5-[[(2-methylanilino)-sulfanylidenemethyl]amino]-1,3,4-thiadiazol-2-yl] ester IUPAC Name: S-[5-[(2-methylphenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl] butanethioate Traditional Name: butanethioic acid S-[5-(o-tolylthiocarbamoylamino)-1,3,4-thiadiazol-2-yl] ester Formula: C14H16N4OS3 MolecularWeight: 352.49804

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)SC1=NN=C(S1)NC(=S)NC2=CC=CC=C2C

Isomeric SMILES

CCCC(=O)SC1=NN=C(S1)NC(=S)NC2=CC=CC=C2C

InChI

InChI=1S/C14H16N4OS3/c1-3-6-11(19)21-14-18-17-13(22-14)16-12(20)15-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3,(H2,15,16,17,20)