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

Systemtic Name: N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: N-[[[4-(valerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-2-3-9-17(25)21-16-12-10-15(11-13-16)19(27)23-24-20(28)22-18(26)14-7-5-4-6-8-14/h4-8,10-13H,2-3,9H2,1H3,(H,21,25)(H,23,27)(H2,22,24,26,28)