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

Systemtic Name: 1-ethyl-3-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiourea Openeye Name: 1-ethyl-3-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiourea CAS Name: 1-ethyl-3-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-ethyl-3-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-ethyl-3-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiourea Formula: C15H25N4O3S2+ MolecularWeight: 373.514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N4O3S2/c1-4-16-15(23)17-13-11-12(5-6-14(13)22-3)24(20,21)19-9-7-18(2)8-10-19/h5-6,11H,4,7-10H2,1-3H3,(H2,16,17,23)/p+1