N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[(5-tert-butyl-3-chloro-2-hydroxyanilino)-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)thiocarbamoyl]-4-isopropyl-benzamide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O2S/c1-12(2)13-6-8-14(9-7-13)19(26)24-20(27)23-17-11-15(21(3,4)5)10-16(22)18(17)25/h6-12,25H,1-5H3,(H2,23,24,26,27)