3-bromanyl-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[4-[(4-ethoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[4-(p-phenetylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C27H30BrN3O5S2 MolecularWeight: 620.5782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC(C)C)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC(C)C)Br

InChI

InChI=1S/C27H30BrN3O5S2/c1-4-35-22-10-6-21(7-11-22)31-38(33,34)23-12-8-20(9-13-23)29-27(37)30-26(32)19-5-14-25(24(28)17-19)36-16-15-18(2)3/h5-14,17-18,31H,4,15-16H2,1-3H3,(H2,29,30,32,37)