N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(4-ethoxyphenyl)-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-p-phenetyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Formula: C29H28N6O5S2 MolecularWeight: 604.69982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CNC(=O)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CNC(=O)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C29H28N6O5S2/c1-4-40-20-12-10-19(11-13-20)35-25(16-30-27(37)18-9-14-22(38-2)23(15-18)39-3)33-34-29(35)41-17-26(36)32-28-31-21-7-5-6-8-24(21)42-28/h5-15H,4,16-17H2,1-3H3,(H,30,37)(H,31,32,36)