N-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbamothioyl]-4-tert-butyl-benzamide

Systemtic Name: N-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbamothioyl]-4-tert-butyl-benzamide Openeye Name: 4-tert-butyl-N-[(3,5-dichloro-4-hydroxy-phenyl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[(3,5-dichloro-4-hydroxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(3,5-dichloro-4-hydroxy-phenyl)thiocarbamoyl]benzamide Formula: C18H18Cl2N2O2S MolecularWeight: 397.31872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Cl)O)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Cl)O)Cl

InChI

InChI=1S/C18H18Cl2N2O2S/c1-18(2,3)11-6-4-10(5-7-11)16(24)22-17(25)21-12-8-13(19)15(23)14(20)9-12/h4-9,23H,1-3H3,(H2,21,22,24,25)