1-(3-fluoranyl-4-methyl-phenyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]thiourea

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(3-fluoro-4-methylphenyl)-3-[(2R)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-(3-fluoro-4-methylphenyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]thiourea Formula: C19H27FN4S2+2 MolecularWeight: 394.572883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC(C2=CC=CS2)[NH+]3CC[NH+](CC3)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC[C@H](C2=CC=CS2)[NH+]3CC[NH+](CC3)C)F

InChI

InChI=1S/C19H25FN4S2/c1-14-5-6-15(12-16(14)20)22-19(25)21-13-17(18-4-3-11-26-18)24-9-7-23(2)8-10-24/h3-6,11-12,17H,7-10,13H2,1-2H3,(H2,21,22,25)/p+2/t17-/m1/s1