methyl 4-[2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoate Openeye Name: methyl 4-[2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoate CAS Name: 4-[[2-[(5-benzamido-1,3,4-thiadiazol-2-yl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoate Traditional Name: 4-[2-[(5-benzamido-1,3,4-thiadiazol-2-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C20H18N4O4S2 MolecularWeight: 442.51132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NN=C(S2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NN=C(S2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4O4S2/c1-12(16(25)21-15-10-8-14(9-11-15)18(27)28-2)29-20-24-23-19(30-20)22-17(26)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,25)(H,22,23,26)