3-(3-chloranyl-2-methyl-phenyl)-1-(furan-2-ylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 3-(3-chloranyl-2-methyl-phenyl)-1-(furan-2-ylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 3-(3-chloro-2-methyl-phenyl)-1-(2-furylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 3-(3-chloro-2-methylphenyl)-1-(2-furanylmethyl)-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 3-(3-chloro-2-methylphenyl)-1-(furan-2-ylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 3-(3-chloro-2-methyl-phenyl)-1-(2-furfuryl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C20H27ClN3O2S+ MolecularWeight: 408.96528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CO3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CO3

InChI

InChI=1S/C20H26ClN3O2S/c1-16-18(21)6-2-7-19(16)22-20(27)24(15-17-5-3-12-26-17)9-4-8-23-10-13-25-14-11-23/h2-3,5-7,12H,4,8-11,13-15H2,1H3,(H,22,27)/p+1