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

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O2S/c1-16-14-17(5-6-19(16)21)22-20(27)24(15-18-4-2-11-26-18)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