methyl 4-[[5-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[(3-bromo-5-methoxy-4-propoxy-benzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[(3-bromo-5-methoxy-4-propoxyphenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(3-bromo-5-methoxy-4-propoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[(3-bromo-5-methoxy-4-propoxy-benzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C22H22BrN3O5S2 MolecularWeight: 552.46118

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C22H22BrN3O5S2/c1-4-9-31-18-16(23)10-15(11-17(18)29-2)19(27)24-21-25-26-22(33-21)32-12-13-5-7-14(8-6-13)20(28)30-3/h5-8,10-11H,4,9,12H2,1-3H3,(H,24,25,27)