1-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(5-methyl-2-furyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-(p-tolyl)thiourea CAS Name: 1-[(5-methyl-2-furanyl)methyl]-3-(4-methylphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(5-methyl-2-furyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-(p-tolyl)thiourea Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=C(O3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=C(O3)C

InChI

InChI=1S/C21H29N3O2S/c1-17-4-7-19(8-5-17)22-21(27)24(16-20-9-6-18(2)26-20)11-3-10-23-12-14-25-15-13-23/h4-9H,3,10-16H2,1-2H3,(H,22,27)/p+1