N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-butanamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]butanamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[[3-[(2-phenylacetyl)amino]phenyl]thio]butyramide Formula: C26H27ClN2O4S MolecularWeight: 499.02158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1OC)OC)Cl)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1OC)OC)Cl)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C26H27ClN2O4S/c1-4-24(26(31)29-21-15-20(27)22(32-2)16-23(21)33-3)34-19-12-8-11-18(14-19)28-25(30)13-17-9-6-5-7-10-17/h5-12,14-16,24H,4,13H2,1-3H3,(H,28,30)(H,29,31)