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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c1-16-7-9-18(10-8-16)13-25(21(27)19-15-28-24-23-19)14-20(26)22-12-11-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,22,26)