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

Systemtic Name: 3-bromanyl-4-butoxy-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(4-morpholinosulfonylphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(4-morpholinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C22H26BrN3O5S2 MolecularWeight: 556.49294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br

InChI

InChI=1S/C22H26BrN3O5S2/c1-2-3-12-31-20-9-4-16(15-19(20)23)21(27)25-22(32)24-17-5-7-18(8-6-17)33(28,29)26-10-13-30-14-11-26/h4-9,15H,2-3,10-14H2,1H3,(H2,24,25,27,32)