4-chloranyl-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 4-chloro-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 4-chloro-N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 4-chloro-N-[[[4-(valerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C20H21ClN4O3S MolecularWeight: 432.92374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O3S/c1-2-3-4-17(26)22-16-11-7-14(8-12-16)19(28)24-25-20(29)23-18(27)13-5-9-15(21)10-6-13/h5-12H,2-4H2,1H3,(H,22,26)(H,24,28)(H2,23,25,27,29)