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

Systemtic Name: 4-heptoxy-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[[[4-(valerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C27H36N4O4S MolecularWeight: 512.66414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CCCC

InChI

InChI=1S/C27H36N4O4S/c1-3-5-7-8-9-19-35-23-17-13-20(14-18-23)25(33)29-27(36)31-30-26(34)21-11-15-22(16-12-21)28-24(32)10-6-4-2/h11-18H,3-10,19H2,1-2H3,(H,28,32)(H,30,34)(H2,29,31,33,36)