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

Systemtic Name: 3-methyl-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 3-methyl-N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3-methyl-N-[[[4-(valerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-3-4-8-18(26)22-17-11-9-15(10-12-17)20(28)24-25-21(29)23-19(27)16-7-5-6-14(2)13-16/h5-7,9-13H,3-4,8H2,1-2H3,(H,22,26)(H,24,28)(H2,23,25,27,29)