3-bromanyl-4-butoxy-N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[4-[2-(dimethylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[4-[2-(dimethylamino)-2-keto-ethyl]phenyl]thiocarbamoyl]benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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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)CC(=O)N(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O3S/c1-4-5-12-29-19-11-8-16(14-18(19)23)21(28)25-22(30)24-17-9-6-15(7-10-17)13-20(27)26(2)3/h6-11,14H,4-5,12-13H2,1-3H3,(H2,24,25,28,30)