N-(2,6-dimethylphenyl)-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-propanamide CAS Name: N-(2,6-dimethylphenyl)-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]propanamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[3-[(2-phenylacetyl)amino]phenyl]thio]propionamide Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H26N2O2S/c1-17-9-7-10-18(2)24(17)27-25(29)19(3)30-22-14-8-13-21(16-22)26-23(28)15-20-11-5-4-6-12-20/h4-14,16,19H,15H2,1-3H3,(H,26,28)(H,27,29)