N-(4-bromanyl-2-methyl-phenyl)-2-[(phenylmethyl)carbamothioylamino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[(phenylmethyl)carbamothioylamino]ethanamide Openeye Name: 2-(benzylcarbamothioylamino)-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]acetamide IUPAC Name: 2-(benzylcarbamothioylamino)-N-(4-bromo-2-methylphenyl)acetamide Traditional Name: 2-(benzylthiocarbamoylamino)-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C17H18BrN3OS MolecularWeight: 392.31332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C17H18BrN3OS/c1-12-9-14(18)7-8-15(12)21-16(22)11-20-17(23)19-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,21,22)(H2,19,20,23)