1-(4-ethylphenyl)-3-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea

Systemtic Name: 1-(4-ethylphenyl)-3-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea Openeye Name: 1-(4-ethylphenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]thiourea CAS Name: 1-(4-ethylphenyl)-3-[(1S)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(4-ethylphenyl)-3-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiourea Traditional Name: 1-(4-ethylphenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]thiourea Formula: C22H30N3OS+ MolecularWeight: 384.5581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC(C[NH+]2CCOCC2)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N[C@H](C[NH+]2CCOCC2)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H29N3OS/c1-3-18-6-10-20(11-7-18)23-22(27)24-21(16-25-12-14-26-15-13-25)19-8-4-17(2)5-9-19/h4-11,21H,3,12-16H2,1-2H3,(H2,23,24,27)/p+1/t21-/m1/s1