3-bromanyl-N-[[2-(cyclohexylcarbonylamino)ethanoylamino]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(cyclohexylcarbonylamino)ethanoylamino]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[[2-[[cyclohexyl(oxo)methyl]amino]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]thiocarbamoyl]-4-methyl-benzamide Formula: C18H23BrN4O3S MolecularWeight: 455.36922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CNC(=O)C2CCCCC2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CNC(=O)C2CCCCC2)Br

InChI

InChI=1S/C18H23BrN4O3S/c1-11-7-8-13(9-14(11)19)17(26)21-18(27)23-22-15(24)10-20-16(25)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,20,25)(H,22,24)(H2,21,23,26,27)