[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone

Systemtic Name: [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Openeye Name: [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone CAS Name: [4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone IUPAC Name: [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Traditional Name: [4-(1,2-benzothiazol-3-yl)piperazino]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NSC5=CC=CC=C54)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NSC5=CC=CC=C54)OC1

InChI

InChI=1S/C21H21N3O3S/c25-21(15-6-7-17-18(14-15)27-13-3-12-26-17)24-10-8-23(9-11-24)20-16-4-1-2-5-19(16)28-22-20/h1-2,4-7,14H,3,8-13H2