2-[[1-(2,3-dimethylphenyl)-2-(3-methylphenyl)ethyl]carbamothioylamino]ethyl pyridine-2-carboxylate

Systemtic Name: 2-[[1-(2,3-dimethylphenyl)-2-(3-methylphenyl)ethyl]carbamothioylamino]ethyl pyridine-2-carboxylate Openeye Name: 2-[[1-(2,3-dimethylphenyl)-2-(m-tolyl)ethyl]carbamothioylamino]ethyl pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid 2-[[[[1-(2,3-dimethylphenyl)-2-(3-methylphenyl)ethyl]amino]-sulfanylidenemethyl]amino]ethyl ester IUPAC Name: 2-[[1-(2,3-dimethylphenyl)-2-(3-methylphenyl)ethyl]carbamothioylamino]ethyl pyridine-2-carboxylate Traditional Name: picolinic acid 2-[[1-(2,3-dimethylphenyl)-2-(m-tolyl)ethyl]thiocarbamoylamino]ethyl ester Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C2=CC=CC(=C2C)C)NC(=S)NCCOC(=O)C3=CC=CC=N3

Isomeric SMILES

CC1=CC(=CC=C1)CC(C2=CC=CC(=C2C)C)NC(=S)NCCOC(=O)C3=CC=CC=N3

InChI

InChI=1S/C26H29N3O2S/c1-18-8-6-10-21(16-18)17-24(22-11-7-9-19(2)20(22)3)29-26(32)28-14-15-31-25(30)23-12-4-5-13-27-23/h4-13,16,24H,14-15,17H2,1-3H3,(H2,28,29,32)