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

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]thiourea Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NCC(C2=CC=C(C=C2)OC)N3CCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NC[C@H](C2=CC=C(C=C2)OC)N3CCCC3)C

InChI

InChI=1S/C22H29N3OS/c1-16-7-6-8-20(17(16)2)24-22(27)23-15-21(25-13-4-5-14-25)18-9-11-19(26-3)12-10-18/h6-12,21H,4-5,13-15H2,1-3H3,(H2,23,24,27)/t21-/m1/s1