1-(2,3-dimethylphenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea Formula: C21H28N3OS+ MolecularWeight: 370.53152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NC(C[NH+]2CCOCC2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3OS/c1-16-7-6-10-19(17(16)2)22-21(26)23-20(18-8-4-3-5-9-18)15-24-11-13-25-14-12-24/h3-10,20H,11-15H2,1-2H3,(H2,22,23,26)/p+1/t20-/m1/s1