2-[3-(butanoylamino)phenyl]sulfanyl-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)butanamide

Systemtic Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)butanamide Openeye Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(4-chloro-2-methoxy-5-methyl-phenyl)butanamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[3-(1-oxobutylamino)phenyl]thio]butanamide IUPAC Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)butanamide Traditional Name: 2-[(3-butyramidophenyl)thio]-N-(4-chloro-2-methoxy-5-methyl-phenyl)butyramide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=C(C=C(C(=C2)C)Cl)OC

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=C(C=C(C(=C2)C)Cl)OC

InChI

InChI=1S/C22H27ClN2O3S/c1-5-8-21(26)24-15-9-7-10-16(12-15)29-20(6-2)22(27)25-18-11-14(3)17(23)13-19(18)28-4/h7,9-13,20H,5-6,8H2,1-4H3,(H,24,26)(H,25,27)