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

Systemtic Name: S-[5-[(4-bromophenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl] butanethioate Openeye Name: S-[5-[(4-bromophenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl] butanethioate CAS Name: butanethioic acid S-[5-[[(4-bromoanilino)-sulfanylidenemethyl]amino]-1,3,4-thiadiazol-2-yl] ester IUPAC Name: S-[5-[(4-bromophenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl] butanethioate Traditional Name: butanethioic acid S-[5-[(4-bromophenyl)thiocarbamoylamino]-1,3,4-thiadiazol-2-yl] ester Formula: C13H13BrN4OS3 MolecularWeight: 417.36752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN4OS3/c1-2-3-10(19)21-13-18-17-12(22-13)16-11(20)15-9-6-4-8(14)5-7-9/h4-7H,2-3H2,1H3,(H2,15,16,17,20)