5-[[2-[(4-tert-butylphenyl)carbonylamino]-1,3-thiazol-5-yl]sulfanylmethyl]-N-(2-cyanoethyl)-2-methyl-benzamide

Systemtic Name: 5-[[2-[(4-tert-butylphenyl)carbonylamino]-1,3-thiazol-5-yl]sulfanylmethyl]-N-(2-cyanoethyl)-2-methyl-benzamide Openeye Name: 5-[[2-[(4-tert-butylbenzoyl)amino]thiazol-5-yl]sulfanylmethyl]-N-(2-cyanoethyl)-2-methyl-benzamide CAS Name: 5-[[[2-[[(4-tert-butylphenyl)-oxomethyl]amino]-5-thiazolyl]thio]methyl]-N-(2-cyanoethyl)-2-methylbenzamide IUPAC Name: 5-[[2-[(4-tert-butylbenzoyl)amino]-1,3-thiazol-5-yl]sulfanylmethyl]-N-(2-cyanoethyl)-2-methylbenzamide Traditional Name: 5-[[[2-[(4-tert-butylbenzoyl)amino]thiazol-5-yl]thio]methyl]-N-(2-cyanoethyl)-2-methyl-benzamide Formula: C26H28N4O2S2 MolecularWeight: 492.65612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)NCCC#N

Isomeric SMILES

CC1=C(C=C(C=C1)CSC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)NCCC#N

InChI

InChI=1S/C26H28N4O2S2/c1-17-6-7-18(14-21(17)24(32)28-13-5-12-27)16-33-22-15-29-25(34-22)30-23(31)19-8-10-20(11-9-19)26(2,3)4/h6-11,14-15H,5,13,16H2,1-4H3,(H,28,32)(H,29,30,31)