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

Systemtic Name: 5-bromanyl-N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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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)NC

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O3S/c1-3-10-27-17-9-6-14(21)12-16(17)19(26)24-20(28)23-15-7-4-13(5-8-15)11-18(25)22-2/h4-9,12H,3,10-11H2,1-2H3,(H,22,25)(H2,23,24,26,28)