1-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2,4,6-trimethylphenyl)thiourea

Systemtic Name: 1-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2,4,6-trimethylphenyl)thiourea Openeye Name: 1-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2,4,6-trimethylphenyl)thiourea CAS Name: 1-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]-3-(2,4,6-trimethylphenyl)thiourea IUPAC Name: 1-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2,4,6-trimethylphenyl)thiourea Traditional Name: 1-mesityl-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]thiourea Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=S)NCC2CCN(C2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=S)NCC2CCN(C2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H29N3OS/c1-15-11-16(2)21(17(3)12-15)24-22(27)23-13-18-9-10-25(14-18)19-5-7-20(26-4)8-6-19/h5-8,11-12,18H,9-10,13-14H2,1-4H3,(H2,23,24,27)