S-[[1,3-bis(2,6-dimethylphenyl)-2-ethanoylimino-imidazolidin-4-yl]methyl] benzenecarbothioate

Systemtic Name: S-[[1,3-bis(2,6-dimethylphenyl)-2-ethanoylimino-imidazolidin-4-yl]methyl] benzenecarbothioate Openeye Name: S-[[2-acetylimino-1,3-bis(2,6-dimethylphenyl)imidazolidin-4-yl]methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[[2-acetylimino-1,3-bis(2,6-dimethylphenyl)-4-imidazolidinyl]methyl] ester IUPAC Name: S-[[2-acetylimino-1,3-bis(2,6-dimethylphenyl)imidazolidin-4-yl]methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[[2-acetylimino-1,3-bis(2,6-dimethylphenyl)imidazolidin-4-yl]methyl] ester Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2CC(N(C2=NC(=O)C)C3=C(C=CC=C3C)C)CSC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2CC(N(C2=NC(=O)C)C3=C(C=CC=C3C)C)CSC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H31N3O2S/c1-19-11-9-12-20(2)26(19)31-17-25(18-35-28(34)24-15-7-6-8-16-24)32(29(31)30-23(5)33)27-21(3)13-10-14-22(27)4/h6-16,25H,17-18H2,1-5H3