1-cyclohexyl-3-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiourea

Systemtic Name: 1-cyclohexyl-3-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiourea Openeye Name: 1-cyclohexyl-3-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiourea CAS Name: 1-cyclohexyl-3-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-cyclohexyl-3-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-cyclohexyl-3-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiourea Formula: C19H31N4O3S2+ MolecularWeight: 427.60444

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=S)NC3CCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=S)NC3CCCCC3

InChI

InChI=1S/C19H30N4O3S2/c1-22-10-12-23(13-11-22)28(24,25)16-8-9-18(26-2)17(14-16)21-19(27)20-15-6-4-3-5-7-15/h8-9,14-15H,3-7,10-13H2,1-2H3,(H2,20,21,27)/p+1