3-bromanyl-N-[(3-methylphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[(3-methylphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-4-isobutoxy-N-(m-tolylcarbamothioyl)benzamide CAS Name: 3-bromo-N-[(3-methylanilino)-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[(3-methylphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-4-isobutoxy-N-(m-tolylthiocarbamoyl)benzamide Formula: C19H21BrN2O2S MolecularWeight: 421.35124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O2S/c1-12(2)11-24-17-8-7-14(10-16(17)20)18(23)22-19(25)21-15-6-4-5-13(3)9-15/h4-10,12H,11H2,1-3H3,(H2,21,22,23,25)