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

Systemtic Name: N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-4-phenylbenzamide Traditional Name: 4-phenyl-N-[[[4-(valerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C26H26N4O3S MolecularWeight: 474.57464

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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)C3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H26N4O3S/c1-2-3-9-23(31)27-22-16-14-21(15-17-22)25(33)29-30-26(34)28-24(32)20-12-10-19(11-13-20)18-7-5-4-6-8-18/h4-8,10-17H,2-3,9H2,1H3,(H,27,31)(H,29,33)(H2,28,30,32,34)