dimethyl 5-[[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H23BrN4O4S2 MolecularWeight: 551.47642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC(=C2)CN3C(=C(C(=N3)C)Br)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC(=C2)CN3C(=C(C(=N3)C)Br)C)C(=O)OC

InChI

InChI=1S/C22H23BrN4O4S2/c1-11-16(20(28)30-4)19(33-18(11)21(29)31-5)25-22(32)24-15-8-6-7-14(9-15)10-27-13(3)17(23)12(2)26-27/h6-9H,10H2,1-5H3,(H2,24,25,32)