N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C20H22ClN3O4S MolecularWeight: 435.92438

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=C(C=CC=C2OC)OC

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=C(C=CC=C2OC)OC

InChI

InChI=1S/C20H22ClN3O4S/c1-4-6-17(25)22-12-9-10-13(21)14(11-12)23-20(29)24-19(26)18-15(27-2)7-5-8-16(18)28-3/h5,7-11H,4,6H2,1-3H3,(H,22,25)(H2,23,24,26,29)