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

Systemtic Name: 5-bromanyl-2-butoxy-N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[4-[2-(dimethylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-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)Br)C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O3S/c1-4-5-12-29-19-11-8-16(23)14-18(19)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)