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

Systemtic Name: 3-chloranyl-N-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 3-chloro-N-[[[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3-chloro-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H23ClN4O3S/c23-17-8-4-7-16(13-17)20(29)25-22(31)27-26-21(30)15-9-11-18(12-10-15)24-19(28)14-5-2-1-3-6-14/h4,7-14H,1-3,5-6H2,(H,24,28)(H,26,30)(H2,25,27,29,31)