2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-1-phenothiazin-10-yl-ethanone

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-1-phenothiazin-10-yl-ethanone Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)C5COC6=CC=CC=C6O5

Isomeric SMILES

C1CN(CCN1CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)C5COC6=CC=CC=C6O5

InChI

InChI=1S/C27H25N3O4S/c31-26(30-19-7-1-5-11-24(19)35-25-12-6-2-8-20(25)30)17-28-13-15-29(16-14-28)27(32)23-18-33-21-9-3-4-10-22(21)34-23/h1-12,23H,13-18H2