2-butyl-4-[4-(6-chloranylpyrazin-2-yl)piperazin-1-yl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-butyl-4-[4-(6-chloranylpyrazin-2-yl)piperazin-1-yl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-butyl-4-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-butyl-4-[4-(6-chloro-2-pyrazinyl)-1-piperazinyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-butyl-4-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-butyl-4-[4-(6-chloropyrazin-2-yl)piperazino]-1,1-diketo-1,2-benzothiazol-3-one Formula: C19H22ClN5O3S MolecularWeight: 435.92768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=CC=C2S1(=O)=O)N3CCN(CC3)C4=CN=CC(=N4)Cl

Isomeric SMILES

CCCCN1C(=O)C2=C(C=CC=C2S1(=O)=O)N3CCN(CC3)C4=CN=CC(=N4)Cl

InChI

InChI=1S/C19H22ClN5O3S/c1-2-3-7-25-19(26)18-14(5-4-6-15(18)29(25,27)28)23-8-10-24(11-9-23)17-13-21-12-16(20)22-17/h4-6,12-13H,2-3,7-11H2,1H3