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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea Formula: C21H27ClN3O2S+ MolecularWeight: 420.97598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NCC(C2=CC=C(C=C2)OC)[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCOCC3

InChI

InChI=1S/C21H26ClN3O2S/c1-15-18(22)4-3-5-19(15)24-21(28)23-14-20(25-10-12-27-13-11-25)16-6-8-17(26-2)9-7-16/h3-9,20H,10-14H2,1-2H3,(H2,23,24,28)/p+1/t20-/m1/s1