N-[[4-(2,5-dimethoxyphenyl)-5-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: N-[[4-(2,5-dimethoxyphenyl)-5-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-(2,5-dimethoxyphenyl)-5-[2-oxo-2-(thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[4-(2,5-dimethoxyphenyl)-5-[[2-oxo-2-(2-thiazolylamino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[[4-(2,5-dimethoxyphenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-(2,5-dimethoxyphenyl)-5-[[2-keto-2-(thiazol-2-ylamino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]benzamide Formula: C23H22N6O4S2 MolecularWeight: 510.58858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)NC3=NC=CS3)CNC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)NC3=NC=CS3)CNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H22N6O4S2/c1-32-16-8-9-18(33-2)17(12-16)29-19(13-25-21(31)15-6-4-3-5-7-15)27-28-23(29)35-14-20(30)26-22-24-10-11-34-22/h3-12H,13-14H2,1-2H3,(H,25,31)(H,24,26,30)