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

Systemtic Name: N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-methyl-benzamide CAS Name: 4-methyl-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-4-methyl-benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-3-4-17(25)21-16-11-9-15(10-12-16)19(27)23-24-20(28)22-18(26)14-7-5-13(2)6-8-14/h5-12H,3-4H2,1-2H3,(H,21,25)(H,23,27)(H2,22,24,26,28)