2-[(3-bromophenyl)carbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-[(3-bromophenyl)carbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-[(3-bromophenyl)carbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-[(3-bromophenyl)carbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-[(3-bromophenyl)thiocarbamoylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C15H18BrN5OS MolecularWeight: 396.30532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)CNC(=S)NC2=CC(=CC=C2)Br

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)CNC(=S)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C15H18BrN5OS/c1-9-14(10(2)21(3)20-9)19-13(22)8-17-15(23)18-12-6-4-5-11(16)7-12/h4-7H,8H2,1-3H3,(H,19,22)(H2,17,18,23)