methyl 2-[[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[3-[(4-bromo-1-pyrazolyl)methyl]anilino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H21BrN4O2S2 MolecularWeight: 493.44034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC(=C2)CN3C=C(C=N3)Br)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC(=C2)CN3C=C(C=N3)Br)C

InChI

InChI=1S/C20H21BrN4O2S2/c1-4-16-12(2)29-18(17(16)19(26)27-3)24-20(28)23-15-7-5-6-13(8-15)10-25-11-14(21)9-22-25/h5-9,11H,4,10H2,1-3H3,(H2,23,24,28)