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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-(phenethylcarbamothioylamino)ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-(phenethylcarbamothioylamino)acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[(phenethylamino)-sulfanylidenemethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-(phenethylcarbamothioylamino)acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-(phenethylthiocarbamoylamino)acetamide Formula: C18H20BrN3OS MolecularWeight: 406.3399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C18H20BrN3OS/c1-13-11-15(19)7-8-16(13)22-17(23)12-21-18(24)20-10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,22,23)(H2,20,21,24)