N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C21H23N6O3S2+ MolecularWeight: 471.57572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O3S2/c1-14-13-31-21(23-14)32-18-5-3-15(11-17(18)27(29)30)20(28)24-16-4-6-19(22-12-16)26-9-7-25(2)8-10-26/h3-6,11-13H,7-10H2,1-2H3,(H,24,28)/p+1