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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[(4-morpholinosulfonylphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[(4-morpholinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C23H28BrN3O5S2 MolecularWeight: 570.51952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br

InChI

InChI=1S/C23H28BrN3O5S2/c1-16(2)9-12-32-21-8-3-17(15-20(21)24)22(28)26-23(33)25-18-4-6-19(7-5-18)34(29,30)27-10-13-31-14-11-27/h3-8,15-16H,9-14H2,1-2H3,(H2,25,26,28,33)