N-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C27H34N4O4S MolecularWeight: 510.64826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C27H34N4O4S/c1-2-3-9-18-35-23-13-8-7-12-22(23)26(34)29-27(36)31-30-25(33)20-14-16-21(17-15-20)28-24(32)19-10-5-4-6-11-19/h7-8,12-17,19H,2-6,9-11,18H2,1H3,(H,28,32)(H,30,33)(H2,29,31,34,36)