3-bromanyl-N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[3-(cyclohexylcarbamoyl)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C22H24BrN3O2S MolecularWeight: 474.41386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3CCCCC3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3CCCCC3)Br

InChI

InChI=1S/C22H24BrN3O2S/c1-14-10-11-16(13-19(14)23)21(28)26-22(29)25-18-9-5-6-15(12-18)20(27)24-17-7-3-2-4-8-17/h5-6,9-13,17H,2-4,7-8H2,1H3,(H,24,27)(H2,25,26,28,29)