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

Systemtic Name: N-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]thiocarbamoyl]-4-heptoxy-benzamide Formula: C29H38N4O4S MolecularWeight: 538.70142

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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)C3CCCCC3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C29H38N4O4S/c1-2-3-4-5-9-20-37-25-18-14-22(15-19-25)27(35)31-29(38)33-32-28(36)23-12-16-24(17-13-23)30-26(34)21-10-7-6-8-11-21/h12-19,21H,2-11,20H2,1H3,(H,30,34)(H,32,36)(H2,31,33,35,38)