3-chloranyl-4,5-dimethoxy-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 3-chloranyl-4,5-dimethoxy-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 3-chloro-4,5-dimethoxy-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide CAS Name: 3-chloro-4,5-dimethoxy-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-chloro-4,5-dimethoxy-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 3-chloro-4,5-dimethoxy-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)benzamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)Cl)OC

InChI

InChI=1S/C20H20ClN3O3S/c1-26-16-10-12(9-14(21)18(16)27-2)19(25)22-13-5-6-15-17(11-13)28-20(23-15)24-7-3-4-8-24/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,22,25)