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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C26H31BrN4O4S MolecularWeight: 575.51774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3)Br

InChI

InChI=1S/C26H31BrN4O4S/c1-2-3-15-35-22-14-11-19(16-21(22)27)24(33)29-26(36)31-30-25(34)18-9-12-20(13-10-18)28-23(32)17-7-5-4-6-8-17/h9-14,16-17H,2-8,15H2,1H3,(H,28,32)(H,30,34)(H2,29,31,33,36)