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

Systemtic Name: 3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 3-(3,4-dimethylphenyl)-1-(2-furylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 3-(3,4-dimethylphenyl)-1-(2-furanylmethyl)-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 3-(3,4-dimethylphenyl)-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:

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

Isomeric SMILES

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

InChI

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