3-(2-ethyl-6-methyl-phenyl)-1-(furan-2-ylmethyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea

Systemtic Name: 3-(2-ethyl-6-methyl-phenyl)-1-(furan-2-ylmethyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea Openeye Name: 3-(2-ethyl-6-methyl-phenyl)-1-(2-furylmethyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea CAS Name: 3-(2-ethyl-6-methylphenyl)-1-(2-furanylmethyl)-1-(3-pyridin-1-iumylmethyl)thiourea IUPAC Name: 3-(2-ethyl-6-methylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea Traditional Name: 3-(2-ethyl-6-methyl-phenyl)-1-(2-furfuryl)-1-(pyridin-1-ium-3-ylmethyl)thiourea Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)N(CC2=C[NH+]=CC=C2)CC3=CC=CO3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N(CC2=C[NH+]=CC=C2)CC3=CC=CO3)C

InChI

InChI=1S/C21H23N3OS/c1-3-18-9-4-7-16(2)20(18)23-21(26)24(15-19-10-6-12-25-19)14-17-8-5-11-22-13-17/h4-13H,3,14-15H2,1-2H3,(H,23,26)/p+1