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

Systemtic Name: 2-[(4-propan-2-ylphenyl)carbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-[(4-isopropylphenyl)carbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-[(4-propan-2-ylphenyl)carbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-(p-cumenylthiocarbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5OS/c1-11(2)14-6-8-15(9-7-14)20-18(25)19-10-16(24)21-17-12(3)22-23(5)13(17)4/h6-9,11H,10H2,1-5H3,(H,21,24)(H2,19,20,25)