1-(2,5-dimethylphenyl)-3-[(1R,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-yl-propan-2-yl]thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[(1R,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-yl-propan-2-yl]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[(1R,2R)-1-methyl-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[(1R,2R)-1-(4-morpholin-4-iumyl)-1-thiophen-2-ylpropan-2-yl]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[(1R,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-[(1R,2R)-1-methyl-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]thiourea Formula: C20H28N3OS2+ MolecularWeight: 390.58582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NC(C)C(C2=CC=CS2)[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N[C@H](C)[C@H](C2=CC=CS2)[NH+]3CCOCC3

InChI

InChI=1S/C20H27N3OS2/c1-14-6-7-15(2)17(13-14)22-20(25)21-16(3)19(18-5-4-12-26-18)23-8-10-24-11-9-23/h4-7,12-13,16,19H,8-11H2,1-3H3,(H2,21,22,25)/p+1/t16-,19-/m1/s1