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

Systemtic Name: 1-(4-ethoxyphenyl)-3-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]thiourea CAS Name: 1-(4-ethoxyphenyl)-3-[(1S)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiourea Traditional Name: 1-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-p-phenetyl-thiourea Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S/c1-3-27-20-10-8-19(9-11-20)23-22(28)24-21(16-25-12-14-26-15-13-25)18-6-4-17(2)5-7-18/h4-11,21H,3,12-16H2,1-2H3,(H2,23,24,28)/p+1/t21-/m1/s1