N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-(2-phenylethanoylamino)propanamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-(2-phenylethanoylamino)propanamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-[(2-phenylacetyl)amino]propanamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-3-[(1-oxo-2-phenylethyl)amino]propanamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-[(2-phenylacetyl)amino]propanamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-3-[(2-phenylacetyl)amino]propionamide Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O2S/c1-18-8-9-19(2)23(16-18)30-22-12-10-21(11-13-22)27-24(28)14-15-26-25(29)17-20-6-4-3-5-7-20/h3-13,16H,14-15,17H2,1-2H3,(H,26,29)(H,27,28)