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

Systemtic Name: N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C27H28N4O4S MolecularWeight: 504.60062

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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)OCCC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C27H28N4O4S/c1-2-7-24(32)28-22-14-12-20(13-15-22)26(34)30-31-27(36)29-25(33)21-10-6-11-23(18-21)35-17-16-19-8-4-3-5-9-19/h3-6,8-15,18H,2,7,16-17H2,1H3,(H,28,32)(H,30,34)(H2,29,31,33,36)