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

Systemtic Name: N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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