3-[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[2-[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-2-oxoethyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[2-[4-(benzothiophen-3-ylmethyl)piperazino]-2-keto-ethyl]-1,2,3-benzotriazin-4-one Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC3=CC=CC=C32)C(=O)CN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCN1CC2=CSC3=CC=CC=C32)C(=O)CN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H21N5O2S/c28-21(14-27-22(29)18-6-1-3-7-19(18)23-24-27)26-11-9-25(10-12-26)13-16-15-30-20-8-4-2-5-17(16)20/h1-8,15H,9-14H2