1-(4-ethanoylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]thiourea

Systemtic Name: 1-(4-ethanoylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]thiourea Openeye Name: 1-(4-acetylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]thiourea CAS Name: 1-(4-acetylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]thiourea IUPAC Name: 1-(4-acetylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiourea Traditional Name: 1-(4-acetylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]thiourea Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NCC(C2=CC=C(C=C2)OC)N3CCCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NC[C@H](C2=CC=C(C=C2)OC)N3CCCC3

InChI

InChI=1S/C22H27N3O2S/c1-16(26)17-5-9-19(10-6-17)24-22(28)23-15-21(25-13-3-4-14-25)18-7-11-20(27-2)12-8-18/h5-12,21H,3-4,13-15H2,1-2H3,(H2,23,24,28)/t21-/m1/s1