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

Systemtic Name: dimethyl 5-[[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3-[(4-bromo-1-pyrazolyl)methyl]anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H19BrN4O4S2 MolecularWeight: 523.42326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN4O4S2/c1-11-15(18(26)28-2)17(31-16(11)19(27)29-3)24-20(30)23-14-6-4-5-12(7-14)9-25-10-13(21)8-22-25/h4-8,10H,9H2,1-3H3,(H2,23,24,30)