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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoyl]benzamide Formula: C23H28BrN3O3S MolecularWeight: 506.45572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)NC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)NC)Br

InChI

InChI=1S/C23H28BrN3O3S/c1-3-4-5-6-13-30-20-12-9-17(15-19(20)24)22(29)27-23(31)26-18-10-7-16(8-11-18)14-21(28)25-2/h7-12,15H,3-6,13-14H2,1-2H3,(H,25,28)(H2,26,27,29,31)