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

Systemtic Name: N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: 3-phenethyloxy-N-[[[4-(valerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C28H30N4O4S MolecularWeight: 518.6272

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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(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O4S/c1-2-3-12-25(33)29-23-15-13-21(14-16-23)27(35)31-32-28(37)30-26(34)22-10-7-11-24(19-22)36-18-17-20-8-5-4-6-9-20/h4-11,13-16,19H,2-3,12,17-18H2,1H3,(H,29,33)(H,31,35)(H2,30,32,34,37)