N-[4-[[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide Openeye Name: N-[4-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)anilino]-4-oxo-butyl]thiophene-2-carboxamide CAS Name: N-[4-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)anilino]-4-oxobutyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide Traditional Name: N-[4-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)anilino]-4-keto-butyl]thiophene-2-carboxamide Formula: C20H26ClN4O2S+ MolecularWeight: 421.96404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O2S/c1-24-9-11-25(12-10-24)17-7-6-15(21)14-16(17)23-19(26)5-2-8-22-20(27)18-4-3-13-28-18/h3-4,6-7,13-14H,2,5,8-12H2,1H3,(H,22,27)(H,23,26)/p+1