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

Systemtic Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-[[5-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-[[5-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Formula: C29H28N6O6S2 MolecularWeight: 620.69922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CNC(=O)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CNC(=O)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C29H28N6O6S2/c1-38-18-10-12-21(39-2)20(14-18)35-25(15-30-27(37)17-9-11-22(40-3)23(13-17)41-4)33-34-29(35)42-16-26(36)32-28-31-19-7-5-6-8-24(19)43-28/h5-14H,15-16H2,1-4H3,(H,30,37)(H,31,32,36)