5-bromanyl-N-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-2-ethoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-2-ethoxy-benzamide Openeye Name: 5-bromo-N-[[4-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioyl]-2-ethoxy-benzamide CAS Name: 5-bromo-N-[[4-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: 5-bromo-N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-2-ethoxybenzamide Traditional Name: 5-bromo-N-[[4-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoyl]-2-ethoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)CCC(=O)N(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)CCC(=O)N(C)C

InChI

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