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

Systemtic Name: 1-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(3-methoxyphenyl)thiourea Formula: C20H25FN3O2S+ MolecularWeight: 390.494803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NCC(C2=CC=C(C=C2)F)[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NC[C@H](C2=CC=C(C=C2)F)[NH+]3CCOCC3

InChI

InChI=1S/C20H24FN3O2S/c1-25-18-4-2-3-17(13-18)23-20(27)22-14-19(24-9-11-26-12-10-24)15-5-7-16(21)8-6-15/h2-8,13,19H,9-12,14H2,1H3,(H2,22,23,27)/p+1/t19-/m1/s1