4-(4-methylpiperazin-1-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-nitro-benzamide

Systemtic Name: 4-(4-methylpiperazin-1-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-nitro-benzamide Openeye Name: 4-(4-methylpiperazin-1-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperazinyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-nitrobenzamide IUPAC Name: 4-(4-methylpiperazin-1-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-nitrobenzamide Traditional Name: 4-(4-methylpiperazino)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-nitro-benzamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3S2/c1-23-7-9-24(10-8-23)16-6-3-13(11-17(16)25(27)28)19(26)21-14-4-5-15-18(12-14)30-20(22-15)29-2/h3-6,11-12H,7-10H2,1-2H3,(H,21,26)