1-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-(4-isopropylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-p-cumenyl-thiourea Formula: C23H32N3OS+ MolecularWeight: 398.58468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3

InChI

InChI=1S/C23H31N3OS/c1-17(2)18-6-10-20(11-7-18)25-23(28)24-16-22(26-14-4-5-15-26)19-8-12-21(27-3)13-9-19/h6-13,17,22H,4-5,14-16H2,1-3H3,(H2,24,25,28)/p+1/t22-/m1/s1