N-(3-chloranyl-4-methoxy-phenyl)-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-butanamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]butanamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[[3-[(2-phenylacetyl)amino]phenyl]thio]butyramide Formula: C25H25ClN2O3S MolecularWeight: 468.9956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN2O3S/c1-3-23(25(30)28-19-12-13-22(31-2)21(26)16-19)32-20-11-7-10-18(15-20)27-24(29)14-17-8-5-4-6-9-17/h4-13,15-16,23H,3,14H2,1-2H3,(H,27,29)(H,28,30)