3-bromanyl-N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)NC)Br

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)NC)Br

InChI

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