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

Systemtic Name: methyl 4-[[2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C19H18N4O3S2 MolecularWeight: 414.50122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3S2/c1-26-17(25)14-9-7-13(8-10-14)11-20-16(24)12-27-19-23-22-18(28-19)21-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,20,24)(H,21,22)