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

Systemtic Name: 2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide CAS Name: 2,3,4-trimethoxy-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 2,3,4-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=C(C(=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)OC)OC

Isomeric SMILES

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

InChI

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