N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]benzamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]benzamide Formula: C26H31N4O3S+ MolecularWeight: 479.61434

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)NCC4=CC=CO4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C26H30N4O3S/c1-2-29-13-15-30(16-14-29)21-11-9-20(10-12-21)28-26(32)23-7-3-4-8-24(23)34-19-25(31)27-18-22-6-5-17-33-22/h3-12,17H,2,13-16,18-19H2,1H3,(H,27,31)(H,28,32)/p+1