N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3,4,5-triethoxy-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]-3,4,5-triethoxy-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]-3,4,5-triethoxy-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]-3,4,5-triethoxybenzamide IUPAC Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3,4,5-triethoxybenzamide 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]-3,4,5-triethoxy-benzamide Formula: C33H36N6O7S2 MolecularWeight: 692.80494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=NN=C(N2C3=C(C=CC(=C3)OC)OC)SCC(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=NN=C(N2C3=C(C=CC(=C3)OC)OC)SCC(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C33H36N6O7S2/c1-6-44-25-15-20(16-26(45-7-2)30(25)46-8-3)31(41)34-18-28-37-38-33(39(28)23-17-21(42-4)13-14-24(23)43-5)47-19-29(40)36-32-35-22-11-9-10-12-27(22)48-32/h9-17H,6-8,18-19H2,1-5H3,(H,34,41)(H,35,36,40)