4-tert-butyl-N-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-tert-butyl-N-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-tert-butyl-N-[2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-tert-butyl-N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-tert-butyl-N-[2-[(2-keto-2-pyrrolidino-ethyl)thio]-1,3-benzothiazol-6-yl]benzamide Formula: C24H27N3O2S2 MolecularWeight: 453.62008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCCC4

InChI

InChI=1S/C24H27N3O2S2/c1-24(2,3)17-8-6-16(7-9-17)22(29)25-18-10-11-19-20(14-18)31-23(26-19)30-15-21(28)27-12-4-5-13-27/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,25,29)