3-(1,3-benzodioxol-5-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)propionamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N3O3S/c25-20(8-4-14-3-7-17-18(11-14)27-13-26-17)22-15-5-6-16-19(12-15)28-21(23-16)24-9-1-2-10-24/h3,5-7,11-12H,1-2,4,8-10,13H2,(H,22,25)