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

Systemtic Name: 1-(4-ethoxyphenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea CAS Name: 1-(4-ethoxyphenyl)-3-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiourea Traditional Name: 1-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-p-phenetyl-thiourea Formula: C21H28N3O2S+ MolecularWeight: 386.53092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S/c1-2-26-19-10-8-18(9-11-19)22-21(27)23-20(17-6-4-3-5-7-17)16-24-12-14-25-15-13-24/h3-11,20H,2,12-16H2,1H3,(H2,22,23,27)/p+1/t20-/m1/s1