3-bromanyl-4-ethoxy-N-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[2-[(3-hydroxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O4S/c1-2-28-17-9-8-13(12-15(17)21)18(26)24-20(29)23-16-7-4-3-6-14(16)19(27)22-10-5-11-25/h3-4,6-9,12,25H,2,5,10-11H2,1H3,(H,22,27)(H2,23,24,26,29)