3-bromanyl-N-[[4-(diethylamino)-3-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-N-[[4-(diethylamino)-3-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[4-(diethylamino)-3-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-(diethylamino)-3-[(4-methoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[4-(diethylamino)-3-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[4-(diethylamino)-3-[(4-methoxyphenyl)sulfamoyl]phenyl]thiocarbamoyl]benzamide Formula: C25H27BrN4O4S2 MolecularWeight: 591.54028

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Br)S(=O)(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Br)S(=O)(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H27BrN4O4S2/c1-4-30(5-2)22-14-11-20(27-25(35)28-24(31)17-7-6-8-18(26)15-17)16-23(22)36(32,33)29-19-9-12-21(34-3)13-10-19/h6-16,29H,4-5H2,1-3H3,(H2,27,28,31,35)