N-(2,6-dimethylphenyl)-N-[2-oxidanylidene-2-(phenethylamino)ethyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-N-[2-oxidanylidene-2-(phenethylamino)ethyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-N-[2-oxo-2-(phenethylamino)ethyl]thiadiazole-4-carboxamide CAS Name: N-(2,6-dimethylphenyl)-N-[2-oxo-2-(phenethylamino)ethyl]-4-thiadiazolecarboxamide IUPAC Name: N-(2,6-dimethylphenyl)-N-[2-oxo-2-(phenethylamino)ethyl]thiadiazole-4-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-N-[2-keto-2-(phenethylamino)ethyl]thiadiazole-4-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(CC(=O)NCCC2=CC=CC=C2)C(=O)C3=CSN=N3

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(CC(=O)NCCC2=CC=CC=C2)C(=O)C3=CSN=N3

InChI

InChI=1S/C21H22N4O2S/c1-15-7-6-8-16(2)20(15)25(21(27)18-14-28-24-23-18)13-19(26)22-12-11-17-9-4-3-5-10-17/h3-10,14H,11-13H2,1-2H3,(H,22,26)