N-(3,4-dimethylphenyl)-2-[4-(2-phenylethanoylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[4-(2-phenylethanoylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(3,4-dimethylphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanyl-propanamide CAS Name: N-(3,4-dimethylphenyl)-2-[[4-[(1-oxo-2-phenylethyl)amino]phenyl]thio]propanamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide Traditional Name: N-(3,4-dimethylphenyl)-2-[[4-[(2-phenylacetyl)amino]phenyl]thio]propionamide Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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