1-[(Z)-[1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethylidene]amino]urea

Systemtic Name: 1-[(Z)-[1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethylidene]amino]urea Openeye Name: [(Z)-[1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethylidene]amino]urea CAS Name: [(Z)-[1-(4-methylsulfonylphenyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethylidene]amino]urea IUPAC Name: [(Z)-[1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethylidene]amino]urea Traditional Name: [(Z)-[1-(4-mesylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethylidene]amino]urea Formula: C20H26N5O3S+ MolecularWeight: 416.51714

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=NNC(=O)N)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C(=N/NC(=O)N)/C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N5O3S/c1-29(27,28)18-9-7-16(8-10-18)19(22-23-20(21)26)15-24-11-13-25(14-12-24)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H3,21,23,26)/p+1/b22-19+