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

Systemtic Name: 2,4,5-trimethoxy-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 2,4,5-trimethoxy-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide CAS Name: 2,4,5-trimethoxy-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2,4,5-trimethoxy-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 2,4,5-trimethoxy-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)OC)OC

InChI

InChI=1S/C21H23N3O4S/c1-26-16-12-18(28-3)17(27-2)11-14(16)20(25)22-13-6-7-15-19(10-13)29-21(23-15)24-8-4-5-9-24/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,25)