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

Systemtic Name: 3,5-bis(chloranyl)-2-methoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dichloro-2-methoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dichloro-2-methoxy-N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-2-methoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dichloro-2-methoxy-N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C21H23Cl2N3O4S MolecularWeight: 484.39602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23Cl2N3O4S/c1-4-5-6-18(27)25-16-8-7-13(11-17(16)29-2)24-21(31)26-20(28)14-9-12(22)10-15(23)19(14)30-3/h7-11H,4-6H2,1-3H3,(H,25,27)(H2,24,26,28,31)