3-[2-(3,4-dimethoxyphenyl)ethyl-(phenylcarbamoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-(phenylcarbamoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-(phenylcarbamoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-[[anilino(oxo)methyl]-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-(phenylcarbamoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-[homoveratryl(phenylcarbamoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C28H29N5O4S MolecularWeight: 531.62596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CCC(=O)NC2=NN=C(S2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CCC(=O)NC2=NN=C(S2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4)OC

InChI

InChI=1S/C28H29N5O4S/c1-36-23-14-13-20(19-24(23)37-2)15-17-33(28(35)29-22-11-7-4-8-12-22)18-16-25(34)30-27-32-31-26(38-27)21-9-5-3-6-10-21/h3-14,19H,15-18H2,1-2H3,(H,29,35)(H,30,32,34)