N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(2-pyrrolidino-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide 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)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C21H21N3O3S/c25-20(14-4-7-17-18(12-14)27-11-3-10-26-17)22-15-5-6-16-19(13-15)28-21(23-16)24-8-1-2-9-24/h4-7,12-13H,1-3,8-11H2,(H,22,25)