3-(2-chloranyl-5-methyl-phenyl)-1-(furan-2-ylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 3-(2-chloranyl-5-methyl-phenyl)-1-(furan-2-ylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 3-(2-chloro-5-methyl-phenyl)-1-(2-furylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 3-(2-chloro-5-methylphenyl)-1-(2-furanylmethyl)-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 3-(2-chloro-5-methylphenyl)-1-(furan-2-ylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 3-(2-chloro-5-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=CC(=C(C=C1)Cl)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CO3

InChI

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