N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(3-chlorophenyl)-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-(3-chlorophenyl)-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-(3-chlorophenyl)-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-(3-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(3-chlorophenyl)-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-(3-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Formula: C27H23ClN6O4S2 MolecularWeight: 595.09232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC(=CC=C3)Cl)SCC(=O)NC4=NC5=CC=CC=C5S4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC(=CC=C3)Cl)SCC(=O)NC4=NC5=CC=CC=C5S4)OC

InChI

InChI=1S/C27H23ClN6O4S2/c1-37-20-11-10-16(12-21(20)38-2)25(36)29-14-23-32-33-27(34(23)18-7-5-6-17(28)13-18)39-15-24(35)31-26-30-19-8-3-4-9-22(19)40-26/h3-13H,14-15H2,1-2H3,(H,29,36)(H,30,31,35)