N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-1-(2,2-dimethyl-1-oxopropyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-1-pivaloyl-pyrrolidine-2-carboxamide Formula: C24H26N6O2S2 MolecularWeight: 494.63224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCCC1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC(C)(C)C(=O)N1CCCC1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C24H26N6O2S2/c1-24(2,3)22(32)29-12-6-9-19(29)21(31)25-15-10-11-17-20(13-15)34-23(26-17)33-14-30-18-8-5-4-7-16(18)27-28-30/h4-5,7-8,10-11,13,19H,6,9,12,14H2,1-3H3,(H,25,31)