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

Systemtic Name: 1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]thiourea CAS Name: 1-[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiourea Traditional Name: 1-benzyl-3-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]thiourea Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)[NH+]2CCOCC2)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)[NH+]2CCOCC2)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS/c1-17(23-21(26)22-16-18-8-4-2-5-9-18)20(19-10-6-3-7-11-19)24-12-14-25-15-13-24/h2-11,17,20H,12-16H2,1H3,(H2,22,23,26)/p+1/t17-,20-/m1/s1