1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-2-[2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperazino]-2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C26H26N4O2S2 MolecularWeight: 490.64024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CN4CC(OC5=CC=CC=C5C4)C6=CSC=C6

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CN4CC(OC5=CC=CC=C5C4)C6=CSC=C6

InChI

InChI=1S/C26H26N4O2S2/c31-25(29-10-12-30(13-11-29)26-27-21-6-2-4-8-24(21)34-26)17-28-15-19-5-1-3-7-22(19)32-23(16-28)20-9-14-33-18-20/h1-9,14,18,23H,10-13,15-17H2