2-butyl-3a-[4-(6-chloranylpyrazin-2-yl)piperazin-1-yl]-5,6-dimethyl-7,7a-dihydro-4H-1,2-benzothiazol-3-one

Systemtic Name: 2-butyl-3a-[4-(6-chloranylpyrazin-2-yl)piperazin-1-yl]-5,6-dimethyl-7,7a-dihydro-4H-1,2-benzothiazol-3-one Openeye Name: 2-butyl-3a-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-5,6-dimethyl-7,7a-dihydro-4H-1,2-benzothiazol-3-one CAS Name: 2-butyl-3a-[4-(6-chloro-2-pyrazinyl)-1-piperazinyl]-5,6-dimethyl-7,7a-dihydro-4H-1,2-benzothiazol-3-one IUPAC Name: 2-butyl-3a-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-5,6-dimethyl-7,7a-dihydro-4H-1,2-benzothiazol-3-one Traditional Name: 2-butyl-3a-[4-(6-chloropyrazin-2-yl)piperazino]-5,6-dimethyl-7,7a-dihydro-4H-1,2-benzothiazol-3-one Formula: C21H30ClN5OS MolecularWeight: 436.0138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2(CC(=C(CC2S1)C)C)N3CCN(CC3)C4=CN=CC(=N4)Cl

Isomeric SMILES

CCCCN1C(=O)C2(CC(=C(CC2S1)C)C)N3CCN(CC3)C4=CN=CC(=N4)Cl

InChI

InChI=1S/C21H30ClN5OS/c1-4-5-6-27-20(28)21(12-16(3)15(2)11-17(21)29-27)26-9-7-25(8-10-26)19-14-23-13-18(22)24-19/h13-14,17H,4-12H2,1-3H3