N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-(2-phenylphenyl)-1,2,3-thiadiazole-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C1=CC=CC=C1C2=CC=CC=C2)C(=O)C3=CSN=N3

Isomeric SMILES

CC(C)(C)NC(=O)CN(C1=CC=CC=C1C2=CC=CC=C2)C(=O)C3=CSN=N3

InChI

InChI=1S/C21H22N4O2S/c1-21(2,3)22-19(26)13-25(20(27)17-14-28-24-23-17)18-12-8-7-11-16(18)15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,22,26)