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

Systemtic Name: 3-bromanyl-N-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[2-[(3-hydroxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCO)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCO)Br

InChI

InChI=1S/C21H24BrN3O4S/c1-2-12-29-18-9-8-14(13-16(18)22)19(27)25-21(30)24-17-7-4-3-6-15(17)20(28)23-10-5-11-26/h3-4,6-9,13,26H,2,5,10-12H2,1H3,(H,23,28)(H2,24,25,27,30)