N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]-3-phenylmethoxy-benzamide

Systemtic Name: N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)carbamothioyl]benzamide CAS Name: N-[(5-tert-butyl-3-chloro-2-hydroxyanilino)-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)thiocarbamoyl]benzamide Formula: C25H25ClN2O3S MolecularWeight: 468.9956

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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(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)Cl)O)NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C25H25ClN2O3S/c1-25(2,3)18-13-20(26)22(29)21(14-18)27-24(32)28-23(30)17-10-7-11-19(12-17)31-15-16-8-5-4-6-9-16/h4-14,29H,15H2,1-3H3,(H2,27,28,30,32)