N-[3-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylanilino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C25H29N4O2S+ MolecularWeight: 449.58836

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4)C

InChI

InChI=1S/C25H28N4O2S/c1-3-28-11-13-29(14-12-28)21-9-10-22(18(2)16-21)27-24(30)19-6-4-7-20(17-19)26-25(31)23-8-5-15-32-23/h4-10,15-17H,3,11-14H2,1-2H3,(H,26,31)(H,27,30)/p+1