methyl 4-[[[4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]phenyl]carbonylamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[[4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]phenyl]carbonylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[[4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoyl]amino]carbamoyl]benzoate CAS Name: 4-[oxo-[[oxo-[4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]phenyl]methyl]hydrazo]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoyl]amino]carbamoyl]benzoate Traditional Name: 4-[[[4-[5-(4-amoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoyl]amino]carbamoyl]benzoic acid methyl ester Formula: C29H28N4O5S MolecularWeight: 544.62142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)NNC(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)NNC(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C29H28N4O5S/c1-3-4-5-18-38-24-16-14-22(15-17-24)28-33-32-27(39-28)21-10-6-19(7-11-21)25(34)30-31-26(35)20-8-12-23(13-9-20)29(36)37-2/h6-17H,3-5,18H2,1-2H3,(H,30,34)(H,31,35)