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

Systemtic Name: N-(3,4-dimethylphenyl)-N-[2-oxidanylidene-2-(phenethylamino)ethyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-(3,4-dimethylphenyl)-N-[2-oxo-2-(phenethylamino)ethyl]thiadiazole-4-carboxamide CAS Name: N-(3,4-dimethylphenyl)-N-[2-oxo-2-(phenethylamino)ethyl]-4-thiadiazolecarboxamide IUPAC Name: N-(3,4-dimethylphenyl)-N-[2-oxo-2-(phenethylamino)ethyl]thiadiazole-4-carboxamide Traditional Name: N-(3,4-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=C(C=C1)N(CC(=O)NCCC2=CC=CC=C2)C(=O)C3=CSN=N3)C

Isomeric SMILES

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

InChI

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