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

Systemtic Name: 1-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-propan-2-yl-thiourea Openeye Name: 1-isopropyl-3-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiourea CAS Name: 1-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-propan-2-ylthiourea IUPAC Name: 1-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-propan-2-ylthiourea Traditional Name: 1-isopropyl-3-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiourea Formula: C16H27N4O3S2+ MolecularWeight: 387.54058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O3S2/c1-12(2)17-16(24)18-14-11-13(5-6-15(14)23-4)25(21,22)20-9-7-19(3)8-10-20/h5-6,11-12H,7-10H2,1-4H3,(H2,17,18,24)/p+1