3-azanyl-4,6-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3-azanyl-4,6-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-amino-4,6-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-amino-4,6-dimethyl-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-amino-4,6-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-amino-4,6-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thieno[2,3-b]pyridine-2-carboxamide Formula: C21H26N5O3S2+ MolecularWeight: 460.59284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)N)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)N)C

InChI

InChI=1S/C21H25N5O3S2/c1-13-12-14(2)23-21-17(13)18(22)19(30-21)20(27)24-15-4-6-16(7-5-15)31(28,29)26-10-8-25(3)9-11-26/h4-7,12H,8-11,22H2,1-3H3,(H,24,27)/p+1