3-bromanyl-4-butoxy-N-[(3-ethanoylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(3-ethanoylphenyl)carbamothioyl]benzamide Openeye Name: N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-butoxy-benzamide CAS Name: N-[(3-acetylanilino)-sulfanylidenemethyl]-3-bromo-4-butoxybenzamide IUPAC Name: N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-butoxybenzamide Traditional Name: N-[(3-acetylphenyl)thiocarbamoyl]-3-bromo-4-butoxy-benzamide Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O3S/c1-3-4-10-26-18-9-8-15(12-17(18)21)19(25)23-20(27)22-16-7-5-6-14(11-16)13(2)24/h5-9,11-12H,3-4,10H2,1-2H3,(H2,22,23,25,27)