3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 3-(4-ethylphenyl)-1-(2-furylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 3-(4-ethylphenyl)-1-(2-furanylmethyl)-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 3-(4-ethylphenyl)-1-(2-furfuryl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CO3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CO3

InChI

InChI=1S/C21H29N3O2S/c1-2-18-6-8-19(9-7-18)22-21(27)24(17-20-5-3-14-26-20)11-4-10-23-12-15-25-16-13-23/h3,5-9,14H,2,4,10-13,15-17H2,1H3,(H,22,27)/p+1