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

Systemtic Name: 1-butyl-3-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiourea Openeye Name: 1-butyl-3-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiourea CAS Name: 1-butyl-3-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-butyl-3-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-butyl-3-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiourea Formula: C17H29N4O3S2+ MolecularWeight: 401.56716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C)OC

Isomeric SMILES

CCCCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C)OC

InChI

InChI=1S/C17H28N4O3S2/c1-4-5-8-18-17(25)19-15-13-14(6-7-16(15)24-3)26(22,23)21-11-9-20(2)10-12-21/h6-7,13H,4-5,8-12H2,1-3H3,(H2,18,19,25)/p+1