3-bromanyl-4-methoxy-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(allylcarbamoyl)phenyl]carbamothioyl]-3-bromo-4-methoxy-benzamide CAS Name: 3-bromo-4-methoxy-N-[[2-[oxo-(prop-2-enylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[2-(allylcarbamoyl)phenyl]thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC=C)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC=C)Br

InChI

InChI=1S/C19H18BrN3O3S/c1-3-10-21-18(25)13-6-4-5-7-15(13)22-19(27)23-17(24)12-8-9-16(26-2)14(20)11-12/h3-9,11H,1,10H2,2H3,(H,21,25)(H2,22,23,24,27)