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

Systemtic Name: 1-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(3-methylphenyl)thiourea Openeye Name: 1-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(m-tolyl)thiourea CAS Name: 1-[(2S)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-(3-methylphenyl)thiourea IUPAC Name: 1-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-3-(3-methylphenyl)thiourea Traditional Name: 1-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(m-tolyl)thiourea Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S/c1-16-4-3-5-18(14-16)23-21(27)22-15-20(24-10-12-26-13-11-24)17-6-8-19(25-2)9-7-17/h3-9,14,20H,10-13,15H2,1-2H3,(H2,22,23,27)/p+1/t20-/m1/s1