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

Systemtic Name: methyl 3-[2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H16N4O3S2 MolecularWeight: 400.47464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(S2)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(S2)NC3=CC=CC=C3

InChI

InChI=1S/C18H16N4O3S2/c1-25-16(24)12-6-5-9-14(10-12)19-15(23)11-26-18-22-21-17(27-18)20-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,23)(H,20,21)