N-(3,4-dimethoxyphenyl)-N-[2-oxidanylidene-2-(phenethylamino)ethyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-N-[2-oxidanylidene-2-(phenethylamino)ethyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(phenethylamino)ethyl]thiadiazole-4-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(phenethylamino)ethyl]-4-thiadiazolecarboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(phenethylamino)ethyl]thiadiazole-4-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-N-[2-keto-2-(phenethylamino)ethyl]thiadiazole-4-carboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC(=O)NCCC2=CC=CC=C2)C(=O)C3=CSN=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC(=O)NCCC2=CC=CC=C2)C(=O)C3=CSN=N3)OC

InChI

InChI=1S/C21H22N4O4S/c1-28-18-9-8-16(12-19(18)29-2)25(21(27)17-14-30-24-23-17)13-20(26)22-11-10-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,26)