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

Systemtic Name: diethyl 5-[[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C24H27BrN4O4S2 MolecularWeight: 579.52958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=CC(=C2)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=CC(=C2)CN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C24H27BrN4O4S2/c1-6-32-22(30)18-13(3)20(23(31)33-7-2)35-21(18)27-24(34)26-17-10-8-9-16(11-17)12-29-15(5)19(25)14(4)28-29/h8-11H,6-7,12H2,1-5H3,(H2,26,27,34)