N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(2,3,4-trimethoxyphenyl)ethanamide

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(2,3,4-trimethoxyphenyl)ethanamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(2,3,4-trimethoxyphenyl)acetamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-2-(2,3,4-trimethoxyphenyl)acetamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(2,3,4-trimethoxyphenyl)acetamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-2-(2,3,4-trimethoxyphenyl)acetamide Formula: C25H23N5O4S2 MolecularWeight: 521.61122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4)OC)OC

InChI

InChI=1S/C25H23N5O4S2/c1-32-20-11-8-15(23(33-2)24(20)34-3)12-22(31)26-16-9-10-18-21(13-16)36-25(27-18)35-14-30-19-7-5-4-6-17(19)28-29-30/h4-11,13H,12,14H2,1-3H3,(H,26,31)