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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propionamide Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CCSC3=NC4=CC=CC=C4S3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CCSC3=NC4=CC=CC=C4S3)OC1

InChI

InChI=1S/C19H18N2O3S2/c22-18(8-11-25-19-21-14-4-1-2-5-17(14)26-19)20-13-6-7-15-16(12-13)24-10-3-9-23-15/h1-2,4-7,12H,3,8-11H2,(H,20,22)