6-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]carbonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]carbonyl-4H-1,4-benzothiazin-3-one Openeye Name: 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one CAS Name: 6-[[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one Traditional Name: 6-(4-m-anisoylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C21H21N3O4S/c1-28-16-4-2-3-14(11-16)20(26)23-7-9-24(10-8-23)21(27)15-5-6-18-17(12-15)22-19(25)13-29-18/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)