N-(2-cyanoethyl)-2-methyl-N-(phenylmethyl)-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzamide

Systemtic Name: N-(2-cyanoethyl)-2-methyl-N-(phenylmethyl)-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzamide Openeye Name: N-benzyl-N-(2-cyanoethyl)-2-methyl-5-[2-(2-pyridylamino)thiazol-5-yl]sulfanyl-benzamide CAS Name: N-(2-cyanoethyl)-2-methyl-N-(phenylmethyl)-5-[[2-(2-pyridinylamino)-5-thiazolyl]thio]benzamide IUPAC Name: N-benzyl-N-(2-cyanoethyl)-2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzamide Traditional Name: N-benzyl-N-(2-cyanoethyl)-2-methyl-5-[[2-(2-pyridylamino)thiazol-5-yl]thio]benzamide Formula: C26H23N5OS2 MolecularWeight: 485.62372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CN=C(S2)NC3=CC=CC=N3)C(=O)N(CCC#N)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CN=C(S2)NC3=CC=CC=N3)C(=O)N(CCC#N)CC4=CC=CC=C4

InChI

InChI=1S/C26H23N5OS2/c1-19-11-12-21(33-24-17-29-26(34-24)30-23-10-5-6-14-28-23)16-22(19)25(32)31(15-7-13-27)18-20-8-3-2-4-9-20/h2-6,8-12,14,16-17H,7,15,18H2,1H3,(H,28,29,30)