(2S)-2-(4-tert-butylphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]propanamide

Systemtic Name: (2S)-2-(4-tert-butylphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]propanamide Openeye Name: (2S)-2-(4-tert-butylphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]propanamide CAS Name: (2S)-2-(4-tert-butylphenoxy)-N-[sulfanylidene-(2,4,6-trimethylanilino)methyl]propanamide IUPAC Name: (2S)-2-(4-tert-butylphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]propanamide Traditional Name: (2S)-2-(4-tert-butylphenoxy)-N-(mesitylthiocarbamoyl)propionamide Formula: C23H30N2O2S MolecularWeight: 398.5615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)C(C)OC2=CC=C(C=C2)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)[C@H](C)OC2=CC=C(C=C2)C(C)(C)C)C

InChI

InChI=1S/C23H30N2O2S/c1-14-12-15(2)20(16(3)13-14)24-22(28)25-21(26)17(4)27-19-10-8-18(9-11-19)23(5,6)7/h8-13,17H,1-7H3,(H2,24,25,26,28)/t17-/m0/s1