2-(1,3-benzothiazol-2-ylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide CAS Name: 2-(1,3-benzothiazol-2-ylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propionamide Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCCO2)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCCCO2)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19N3O3S/c1-12(20-19-22-14-5-2-3-6-17(14)26-19)18(23)21-13-7-8-15-16(11-13)25-10-4-9-24-15/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,20,22)(H,21,23)