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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

InChI

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