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

Systemtic Name: N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[[[4-(valerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3S/c1-4-5-6-20(28)24-19-13-11-18(12-14-19)22(30)26-27-23(31)25-21(29)17-9-7-16(8-10-17)15(2)3/h7-15H,4-6H2,1-3H3,(H,24,28)(H,26,30)(H2,25,27,29,31)