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

Systemtic Name: 3-bromanyl-N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[4-[2-(dimethylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[4-[2-(dimethylamino)-2-keto-ethyl]phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C24H30BrN3O3S MolecularWeight: 520.4823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)N(C)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)N(C)C)Br

InChI

InChI=1S/C24H30BrN3O3S/c1-4-5-6-7-14-31-21-13-10-18(16-20(21)25)23(30)27-24(32)26-19-11-8-17(9-12-19)15-22(29)28(2)3/h8-13,16H,4-7,14-15H2,1-3H3,(H2,26,27,30,32)