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

Systemtic Name: 3-bromanyl-N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[4-[2-(dimethylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[4-[2-(dimethylamino)-2-keto-ethyl]phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O3S/c1-4-27-17-10-7-14(12-16(17)21)19(26)23-20(28)22-15-8-5-13(6-9-15)11-18(25)24(2)3/h5-10,12H,4,11H2,1-3H3,(H2,22,23,26,28)