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

Systemtic Name: 2-methyl-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 2-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 2-methyl-N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 2-methyl-N-[[[4-(valerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2C

InChI

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