1-(4-methoxyphenyl)-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]thiourea

Systemtic Name: 1-(4-methoxyphenyl)-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]thiourea Openeye Name: 1-(4-methoxyphenyl)-3-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]thiourea CAS Name: 1-(4-methoxyphenyl)-3-[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]thiourea IUPAC Name: 1-(4-methoxyphenyl)-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiourea Traditional Name: 1-(4-methoxyphenyl)-3-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]thiourea Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)[NH+]2CCOCC2)NC(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)[NH+]2CCOCC2)NC(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O2S/c1-16(22-21(27)23-18-8-10-19(25-2)11-9-18)20(17-6-4-3-5-7-17)24-12-14-26-15-13-24/h3-11,16,20H,12-15H2,1-2H3,(H2,22,23,27)/p+1/t16-,20-/m1/s1