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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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