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

Systemtic Name: 2-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)CC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N(C)CC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H23N3O3S/c1-14(21-23-16-6-3-4-7-19(16)28-21)24(2)13-20(25)22-15-8-9-17-18(12-15)27-11-5-10-26-17/h3-4,6-9,12,14H,5,10-11,13H2,1-2H3,(H,22,25)