N-[(4-bromanyl-2-methyl-phenyl)carbamothioyl]-3-butoxy-benzamide

Systemtic Name: N-[(4-bromanyl-2-methyl-phenyl)carbamothioyl]-3-butoxy-benzamide Openeye Name: N-[(4-bromo-2-methyl-phenyl)carbamothioyl]-3-butoxy-benzamide CAS Name: N-[(4-bromo-2-methylanilino)-sulfanylidenemethyl]-3-butoxybenzamide IUPAC Name: N-[(4-bromo-2-methylphenyl)carbamothioyl]-3-butoxybenzamide Traditional Name: N-[(4-bromo-2-methyl-phenyl)thiocarbamoyl]-3-butoxy-benzamide Formula: C19H21BrN2O2S MolecularWeight: 421.35124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C19H21BrN2O2S/c1-3-4-10-24-16-7-5-6-14(12-16)18(23)22-19(25)21-17-9-8-15(20)11-13(17)2/h5-9,11-12H,3-4,10H2,1-2H3,(H2,21,22,23,25)