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

Systemtic Name: 1-(2-methoxyethyl)-3-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiourea Openeye Name: 1-(2-methoxyethyl)-3-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiourea CAS Name: 1-(2-methoxyethyl)-3-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-(2-methoxyethyl)-3-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(2-methoxyethyl)-3-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiourea Formula: C16H27N4O4S2+ MolecularWeight: 403.53998

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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)NCCOC

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O4S2/c1-19-7-9-20(10-8-19)26(21,22)13-4-5-15(24-3)14(12-13)18-16(25)17-6-11-23-2/h4-5,12H,6-11H2,1-3H3,(H2,17,18,25)/p+1