2-bromanyl-N-[[2-(cyclohexylcarbonylamino)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[2-(cyclohexylcarbonylamino)ethanoylamino]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[2-[[cyclohexyl(oxo)methyl]amino]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]thiocarbamoyl]benzamide Formula: C17H21BrN4O3S MolecularWeight: 441.34264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

C1CCC(CC1)C(=O)NCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C17H21BrN4O3S/c18-13-9-5-4-8-12(13)16(25)20-17(26)22-21-14(23)10-19-15(24)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,19,24)(H,21,23)(H2,20,22,25,26)