N-(3-chloranyl-2-methyl-phenyl)-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-butanamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]butanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[[3-[(2-phenylacetyl)amino]phenyl]thio]butyramide Formula: C25H25ClN2O2S MolecularWeight: 452.9962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CC=C1)Cl)C)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CC=C1)Cl)C)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H25ClN2O2S/c1-3-23(25(30)28-22-14-8-13-21(26)17(22)2)31-20-12-7-11-19(16-20)27-24(29)15-18-9-5-4-6-10-18/h4-14,16,23H,3,15H2,1-2H3,(H,27,29)(H,28,30)