3-bromanyl-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[(4-morpholinosulfonylphenyl)carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[(4-morpholinosulfonylphenyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C21H24BrN3O5S2 MolecularWeight: 542.46636

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br

InChI

InChI=1S/C21H24BrN3O5S2/c1-2-11-30-19-8-3-15(14-18(19)22)20(26)24-21(31)23-16-4-6-17(7-5-16)32(27,28)25-9-12-29-13-10-25/h3-8,14H,2,9-13H2,1H3,(H2,23,24,26,31)