N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[(5-tert-butyl-3-chloro-2-hydroxyanilino)-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)thiocarbamoyl]-1-naphthamide Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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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=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)Cl)O)NC(=S)NC(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H21ClN2O2S/c1-22(2,3)14-11-17(23)19(26)18(12-14)24-21(28)25-20(27)16-10-6-8-13-7-4-5-9-15(13)16/h4-12,26H,1-3H3,(H2,24,25,27,28)