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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-bromo-4-butoxy-benzamide CAS Name: N-[[4-[acetyl(methyl)amino]anilino]-sulfanylidenemethyl]-3-bromo-4-butoxybenzamide IUPAC Name: N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-bromo-4-butoxybenzamide Traditional Name: N-[[4-[acetyl(methyl)amino]phenyl]thiocarbamoyl]-3-bromo-4-butoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3S/c1-4-5-12-28-19-11-6-15(13-18(19)22)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)