N-(4-bromanyl-2-methyl-phenyl)-2-(cyclohexylcarbamothioylamino)ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-(cyclohexylcarbamothioylamino)ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-(cyclohexylcarbamothioylamino)acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-(cyclohexylcarbamothioylamino)acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-(cyclohexylthiocarbamoylamino)acetamide Formula: C16H22BrN3OS MolecularWeight: 384.33438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=S)NC2CCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=S)NC2CCCCC2

InChI

InChI=1S/C16H22BrN3OS/c1-11-9-12(17)7-8-14(11)20-15(21)10-18-16(22)19-13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3,(H,20,21)(H2,18,19,22)