1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-phenyl-thiourea

Systemtic Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-phenyl-thiourea Openeye Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-phenyl-thiourea CAS Name: 1-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-phenylthiourea IUPAC Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-phenylthiourea Traditional Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-phenyl-thiourea Formula: C18H23N4O2S2+ MolecularWeight: 391.53082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S2/c1-21-11-13-22(14-12-21)26(23,24)17-9-7-16(8-10-17)20-18(25)19-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H2,19,20,25)/p+1