2-[[5-[(3,4-dimethylphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-[(3,4-dimethylphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(3,4-dimethylphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[(3,4-dimethylanilino)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetate IUPAC Name: 2-[[5-[(3,4-dimethylphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(3,4-dimethylphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]thio]acetate Formula: C13H13N4O3S2- MolecularWeight: 337.39732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)SCC(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)SCC(=O)[O-])C

InChI

InChI=1S/C13H14N4O3S2/c1-7-3-4-9(5-8(7)2)14-11(20)15-12-16-17-13(22-12)21-6-10(18)19/h3-5H,6H2,1-2H3,(H,18,19)(H2,14,15,16,20)/p-1