2,5-bis(chloranyl)-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 2,5-bis(chloranyl)-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2,5-dichloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2,5-dichloro-N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,5-dichloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2,5-dichloro-N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C20H21Cl2N3O3S MolecularWeight: 454.37004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2N3O3S/c1-3-4-5-18(26)24-16-9-7-13(11-17(16)28-2)23-20(29)25-19(27)14-10-12(21)6-8-15(14)22/h6-11H,3-5H2,1-2H3,(H,24,26)(H2,23,25,27,29)