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

Systemtic Name: N-[3-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]amino]-3-oxidanylidene-propyl]thiophene-2-carboxamide Openeye Name: N-[3-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-anilino]-3-oxo-propyl]thiophene-2-carboxamide CAS Name: N-[3-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylanilino]-3-oxopropyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylanilino]-3-oxopropyl]thiophene-2-carboxamide Traditional Name: N-[3-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-anilino]-3-keto-propyl]thiophene-2-carboxamide Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCNC(=O)C3=CC=CS3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCNC(=O)C3=CC=CS3)C

InChI

InChI=1S/C21H28N4O2S/c1-3-24-10-12-25(13-11-24)17-6-7-18(16(2)15-17)23-20(26)8-9-22-21(27)19-5-4-14-28-19/h4-7,14-15H,3,8-13H2,1-2H3,(H,22,27)(H,23,26)/p+1