5-bromanyl-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(4-morpholinosulfonylphenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(4-morpholinosulfonylphenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C26H26BrN3O5S2 MolecularWeight: 604.53574

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C26H26BrN3O5S2/c27-20-6-11-24(35-15-12-19-4-2-1-3-5-19)23(18-20)25(31)29-26(36)28-21-7-9-22(10-8-21)37(32,33)30-13-16-34-17-14-30/h1-11,18H,12-17H2,(H2,28,29,31,36)