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

Systemtic Name: 1-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-methyl-thiourea Openeye Name: 1-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-methyl-thiourea CAS Name: 1-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-methylthiourea IUPAC Name: 1-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-methylthiourea Traditional Name: 1-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-methyl-thiourea Formula: C14H23N4O3S2+ MolecularWeight: 359.48742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O3S2/c1-15-14(22)16-12-10-11(4-5-13(12)21-3)23(19,20)18-8-6-17(2)7-9-18/h4-5,10H,6-9H2,1-3H3,(H2,15,16,22)/p+1