N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)carbamothioyl]pyridine-3-carboxamide CAS Name: N-[(5-tert-butyl-3-chloro-2-hydroxyanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)thiocarbamoyl]nicotinamide Formula: C17H18ClN3O2S MolecularWeight: 363.86172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O2S/c1-17(2,3)11-7-12(18)14(22)13(8-11)20-16(24)21-15(23)10-5-4-6-19-9-10/h4-9,22H,1-3H3,(H2,20,21,23,24)