N-(2,6-dimethylphenyl)-2-[4-(2-phenoxyethanoylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(2-phenoxyethanoylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-propanamide CAS Name: N-(2,6-dimethylphenyl)-2-[[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]propanamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[4-[(2-phenoxyacetyl)amino]phenyl]thio]propionamide Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C25H26N2O3S/c1-17-8-7-9-18(2)24(17)27-25(29)19(3)31-22-14-12-20(13-15-22)26-23(28)16-30-21-10-5-4-6-11-21/h4-15,19H,16H2,1-3H3,(H,26,28)(H,27,29)