N-[(3-acetamidophenyl)carbamothioyl]-5-bromanyl-2-butoxy-benzamide

Systemtic Name: N-[(3-acetamidophenyl)carbamothioyl]-5-bromanyl-2-butoxy-benzamide Openeye Name: N-[(3-acetamidophenyl)carbamothioyl]-5-bromo-2-butoxy-benzamide CAS Name: N-[(3-acetamidoanilino)-sulfanylidenemethyl]-5-bromo-2-butoxybenzamide IUPAC Name: N-[(3-acetamidophenyl)carbamothioyl]-5-bromo-2-butoxybenzamide Traditional Name: N-[(3-acetamidophenyl)thiocarbamoyl]-5-bromo-2-butoxy-benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O3S/c1-3-4-10-27-18-9-8-14(21)11-17(18)19(26)24-20(28)23-16-7-5-6-15(12-16)22-13(2)25/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,25)(H2,23,24,26,28)