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

Systemtic Name: N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-3-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(=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-3-5-17(25)21-16-10-8-14(9-11-16)19(27)23-24-20(28)22-18(26)15-7-4-6-13(2)12-15/h4,6-12H,3,5H2,1-2H3,(H,21,25)(H,23,27)(H2,22,24,26,28)