5-bromanyl-2-butoxy-N-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-5-bromo-2-butoxy-benzamide CAS Name: N-[[4-[acetyl(methyl)amino]anilino]-sulfanylidenemethyl]-5-bromo-2-butoxybenzamide IUPAC Name: N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-5-bromo-2-butoxybenzamide Traditional Name: N-[[4-[acetyl(methyl)amino]phenyl]thiocarbamoyl]-5-bromo-2-butoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3S/c1-4-5-12-28-19-11-6-15(22)13-18(19)20(27)24-21(29)23-16-7-9-17(10-8-16)25(3)14(2)26/h6-11,13H,4-5,12H2,1-3H3,(H2,23,24,27,29)