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

Systemtic Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(5-chloranyl-2,4-dimethoxy-phenyl)butanamide Openeye Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(5-chloro-2,4-dimethoxy-phenyl)butanamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[[3-(1-oxobutylamino)phenyl]thio]butanamide IUPAC Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)butanamide Traditional Name: 2-[(3-butyramidophenyl)thio]-N-(5-chloro-2,4-dimethoxy-phenyl)butyramide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC(=C(C=C2OC)OC)Cl

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC(=C(C=C2OC)OC)Cl

InChI

InChI=1S/C22H27ClN2O4S/c1-5-8-21(26)24-14-9-7-10-15(11-14)30-20(6-2)22(27)25-17-12-16(23)18(28-3)13-19(17)29-4/h7,9-13,20H,5-6,8H2,1-4H3,(H,24,26)(H,25,27)