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

Systemtic Name: N-[2-(cyclohexylamino)-2-oxidanylidene-1-phenyl-ethyl]-N-[(4-methylphenyl)methyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[2-(cyclohexylamino)-2-oxo-1-phenyl-ethyl]-N-(p-tolylmethyl)thiadiazole-4-carboxamide CAS Name: N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]-4-thiadiazolecarboxamide IUPAC Name: N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide Traditional Name: N-[2-(cyclohexylamino)-2-keto-1-phenyl-ethyl]-N-(4-methylbenzyl)thiadiazole-4-carboxamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C(C2=CC=CC=C2)C(=O)NC3CCCCC3)C(=O)C4=CSN=N4

Isomeric SMILES

CC1=CC=C(C=C1)CN(C(C2=CC=CC=C2)C(=O)NC3CCCCC3)C(=O)C4=CSN=N4

InChI

InChI=1S/C25H28N4O2S/c1-18-12-14-19(15-13-18)16-29(25(31)22-17-32-28-27-22)23(20-8-4-2-5-9-20)24(30)26-21-10-6-3-7-11-21/h2,4-5,8-9,12-15,17,21,23H,3,6-7,10-11,16H2,1H3,(H,26,30)