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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC(C)C(C2=CC=CC=C2)[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N[C@H](C)[C@H](C2=CC=CC=C2)[NH+]3CCOCC3

InChI

InChI=1S/C21H27N3OS/c1-16-8-10-19(11-9-16)23-21(26)22-17(2)20(18-6-4-3-5-7-18)24-12-14-25-15-13-24/h3-11,17,20H,12-15H2,1-2H3,(H2,22,23,26)/p+1/t17-,20-/m1/s1