5-bromanyl-2-ethoxy-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-ethoxy-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-ethoxy-N-[[2-[(3-methoxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-ethoxy-N-[[2-(3-methoxypropylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCOC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCOC

InChI

InChI=1S/C21H24BrN3O4S/c1-3-29-18-10-9-14(22)13-16(18)20(27)25-21(30)24-17-8-5-4-7-15(17)19(26)23-11-6-12-28-2/h4-5,7-10,13H,3,6,11-12H2,1-2H3,(H,23,26)(H2,24,25,27,30)