5-bromanyl-N-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide

Systemtic Name: 5-bromanyl-N-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-N-[(3-chloro-4-methyl-phenyl)carbamothioyl]-2-isopentyloxy-benzamide CAS Name: 5-bromo-N-[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: 5-bromo-N-[(3-chloro-4-methylphenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-N-[(3-chloro-4-methyl-phenyl)thiocarbamoyl]-2-isoamoxy-benzamide Formula: C20H22BrClN2O2S MolecularWeight: 469.82288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C)Cl

InChI

InChI=1S/C20H22BrClN2O2S/c1-12(2)8-9-26-18-7-5-14(21)10-16(18)19(25)24-20(27)23-15-6-4-13(3)17(22)11-15/h4-7,10-12H,8-9H2,1-3H3,(H2,23,24,25,27)