N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-cyclohexyl-propanamide

Systemtic Name: N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-cyclohexyl-propanamide Openeye Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]carbamothioyl]-3-cyclohexyl-propanamide CAS Name: N-[[[(3-bromo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-cyclohexylpropanamide IUPAC Name: N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-3-cyclohexylpropanamide Traditional Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]thiocarbamoyl]-3-cyclohexyl-propionamide Formula: C18H24BrN3O3S MolecularWeight: 442.37046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2CCCCC2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2CCCCC2)Br

InChI

InChI=1S/C18H24BrN3O3S/c1-25-15-9-8-13(11-14(15)19)17(24)21-22-18(26)20-16(23)10-7-12-5-3-2-4-6-12/h8-9,11-12H,2-7,10H2,1H3,(H,21,24)(H2,20,22,23,26)