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

Systemtic Name: 3,4-bis(chloranyl)-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3,4-dichloro-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3,4-dichloro-N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dichloro-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3,4-dichloro-N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C19H19Cl2N3O2S MolecularWeight: 424.34406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19Cl2N3O2S/c1-2-3-7-17(25)22-13-5-4-6-14(11-13)23-19(27)24-18(26)12-8-9-15(20)16(21)10-12/h4-6,8-11H,2-3,7H2,1H3,(H,22,25)(H2,23,24,26,27)