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

Systemtic Name: N-[2-[[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylanilino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[[4-(4-ethylpiperazin-4-ium-1-yl)-3-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=C(C=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CS4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CS4)C

InChI

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