1-(2,5-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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