6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]carbonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]carbonyl-4H-1,4-benzothiazin-3-one Openeye Name: 6-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one CAS Name: 6-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one Traditional Name: 6-[4-(2,5-dimethoxybenzyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C22H25N3O4S/c1-28-17-4-5-19(29-2)16(11-17)13-24-7-9-25(10-8-24)22(27)15-3-6-20-18(12-15)23-21(26)14-30-20/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,23,26)