4-bromanyl-N-[cyclohexyl-[1-(4-methylphenyl)-5-oxidanyl-2-oxidanylidene-3H-pyrrol-4-yl]carbamothioyl]benzamide

Systemtic Name: 4-bromanyl-N-[cyclohexyl-[1-(4-methylphenyl)-5-oxidanyl-2-oxidanylidene-3H-pyrrol-4-yl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[cyclohexyl-[5-hydroxy-2-oxo-1-(p-tolyl)-3H-pyrrol-4-yl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[cyclohexyl-[5-hydroxy-1-(4-methylphenyl)-2-oxo-3H-pyrrol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[cyclohexyl-[5-hydroxy-1-(4-methylphenyl)-2-oxo-3H-pyrrol-4-yl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[cyclohexyl-[2-hydroxy-5-keto-1-(p-tolyl)-2-pyrrolin-3-yl]thiocarbamoyl]benzamide Formula: C25H26BrN3O3S MolecularWeight: 528.46124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)CC(=C2O)N(C3CCCCC3)C(=S)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)CC(=C2O)N(C3CCCCC3)C(=S)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H26BrN3O3S/c1-16-7-13-20(14-8-16)29-22(30)15-21(24(29)32)28(19-5-3-2-4-6-19)25(33)27-23(31)17-9-11-18(26)12-10-17/h7-14,19,32H,2-6,15H2,1H3,(H,27,31,33)