1-[2-(4-chlorophenyl)sulfanylethyl]-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Openeye Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea CAS Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]thiourea IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Traditional Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Formula: C20H26ClN4S2+ MolecularWeight: 422.03024

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H25ClN4S2/c1-24-11-13-25(14-12-24)18-6-4-17(5-7-18)23-20(26)22-10-15-27-19-8-2-16(21)3-9-19/h2-9H,10-15H2,1H3,(H2,22,23,26)/p+1