3-bromanyl-N-[(2-butoxyphenyl)carbamothioyl]-4-propan-2-yloxy-benzamide

Systemtic Name: 3-bromanyl-N-[(2-butoxyphenyl)carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 3-bromo-N-[(2-butoxyphenyl)carbamothioyl]-4-isopropoxy-benzamide CAS Name: 3-bromo-N-[(2-butoxyanilino)-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: 3-bromo-N-[(2-butoxyphenyl)carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 3-bromo-N-[(2-butoxyphenyl)thiocarbamoyl]-4-isopropoxy-benzamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC(C)C)Br

Isomeric SMILES

CCCCOC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC(C)C)Br

InChI

InChI=1S/C21H25BrN2O3S/c1-4-5-12-26-19-9-7-6-8-17(19)23-21(28)24-20(25)15-10-11-18(16(22)13-15)27-14(2)3/h6-11,13-14H,4-5,12H2,1-3H3,(H2,23,24,25,28)