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

Systemtic Name: 3-bromanyl-N-[(3-bromophenyl)carbamothioyl]-4-butoxy-benzamide Openeye Name: 3-bromo-N-[(3-bromophenyl)carbamothioyl]-4-butoxy-benzamide CAS Name: 3-bromo-N-[(3-bromoanilino)-sulfanylidenemethyl]-4-butoxybenzamide IUPAC Name: 3-bromo-N-[(3-bromophenyl)carbamothioyl]-4-butoxybenzamide Traditional Name: 3-bromo-N-[(3-bromophenyl)thiocarbamoyl]-4-butoxy-benzamide Formula: C18H18Br2N2O2S MolecularWeight: 486.22072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18Br2N2O2S/c1-2-3-9-24-16-8-7-12(10-15(16)20)17(23)22-18(25)21-14-6-4-5-13(19)11-14/h4-8,10-11H,2-3,9H2,1H3,(H2,21,22,23,25)