N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]nicotinamide Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C18H20N4O2S/c1-18(2,3)14-8-6-12(7-9-14)16(24)21-22-17(25)20-15(23)13-5-4-10-19-11-13/h4-11H,1-3H3,(H,21,24)(H2,20,22,23,25)