N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]propanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]propanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]propanamide Traditional Name: 3-[[3-(4-fluorobenzyl)-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-N-homoveratryl-propionamide Formula: C25H31FN4O4S MolecularWeight: 502.601443

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCC(=O)NCCC1=CC(=C(C=C1)OC)OC)C2=NC(=NS2)CC3=CC=C(C=C3)F

Isomeric SMILES

COCCN(CCC(=O)NCCC1=CC(=C(C=C1)OC)OC)C2=NC(=NS2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C25H31FN4O4S/c1-32-15-14-30(25-28-23(29-35-25)17-18-4-7-20(26)8-5-18)13-11-24(31)27-12-10-19-6-9-21(33-2)22(16-19)34-3/h4-9,16H,10-15,17H2,1-3H3,(H,27,31)