1-[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea

Systemtic Name: 1-[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea Openeye Name: 1-[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea CAS Name: 1-[4-[(4-ethyl-1-piperazin-4-iumyl)methyl]phenyl]-3-[4-(methylthio)phenyl]urea IUPAC Name: 1-[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea Traditional Name: 1-[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]-3-[4-(methylthio)phenyl]urea Formula: C21H29N4OS+ MolecularWeight: 385.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H28N4OS/c1-3-24-12-14-25(15-13-24)16-17-4-6-18(7-5-17)22-21(26)23-19-8-10-20(27-2)11-9-19/h4-11H,3,12-16H2,1-2H3,(H2,22,23,26)/p+1