5-bromanyl-N-[(cyclohexylcarbonylamino)carbamothioyl]-2-(3-methylbutoxy)benzamide

Systemtic Name: 5-bromanyl-N-[(cyclohexylcarbonylamino)carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-2-isopentyloxy-benzamide CAS Name: 5-bromo-N-[[[cyclohexyl(oxo)methyl]hydrazo]-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: 5-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-N-[(cyclohexanecarbonylamino)thiocarbamoyl]-2-isoamoxy-benzamide Formula: C20H28BrN3O3S MolecularWeight: 470.42362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2CCCCC2

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2CCCCC2

InChI

InChI=1S/C20H28BrN3O3S/c1-13(2)10-11-27-17-9-8-15(21)12-16(17)19(26)22-20(28)24-23-18(25)14-6-4-3-5-7-14/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,23,25)(H2,22,24,26,28)