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

Systemtic Name: 3-bromanyl-N-[(2-bromophenyl)carbamothioyl]-4-butoxy-benzamide Openeye Name: 3-bromo-N-[(2-bromophenyl)carbamothioyl]-4-butoxy-benzamide CAS Name: 3-bromo-N-[(2-bromoanilino)-sulfanylidenemethyl]-4-butoxybenzamide IUPAC Name: 3-bromo-N-[(2-bromophenyl)carbamothioyl]-4-butoxybenzamide Traditional Name: 3-bromo-N-[(2-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=C2Br)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2Br)Br

InChI

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