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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]propionamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O3S/c1-14(15-7-8-17-18(13-15)26-12-4-11-25-17)22-20(24)9-10-21-23-16-5-2-3-6-19(16)27-21/h2-3,5-8,13-14H,4,9-12H2,1H3,(H,22,24)