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

Systemtic Name: N-[(5-tert-butyl-2-oxidanyl-phenyl)carbamothioyl]-5-chloranyl-naphthalene-1-carboxamide Openeye Name: N-[(5-tert-butyl-2-hydroxy-phenyl)carbamothioyl]-5-chloro-naphthalene-1-carboxamide CAS Name: N-[(5-tert-butyl-2-hydroxyanilino)-sulfanylidenemethyl]-5-chloro-1-naphthalenecarboxamide IUPAC Name: N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-chloronaphthalene-1-carboxamide Traditional Name: N-[(5-tert-butyl-2-hydroxy-phenyl)thiocarbamoyl]-5-chloro-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)O)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Cl

InChI

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