N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H23N5O4S/c1-13-10-14(2)20-19(11-13)32-22(23-20)24-21(29)16-4-5-17(18(12-16)27(30)31)26-8-6-25(7-9-26)15(3)28/h4-5,10-12H,6-9H2,1-3H3,(H,23,24,29)