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

Systemtic Name: 5-bromanyl-N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[4-[2-(dimethylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[4-[2-(dimethylamino)-2-keto-ethyl]phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)N(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)N(C)C

InChI

InChI=1S/C21H24BrN3O3S/c1-4-11-28-18-10-7-15(22)13-17(18)20(27)24-21(29)23-16-8-5-14(6-9-16)12-19(26)25(2)3/h5-10,13H,4,11-12H2,1-3H3,(H2,23,24,27,29)