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

Systemtic Name: methyl 2-[[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[3-[(4-bromo-1-pyrazolyl)methyl]anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C24H21BrN4O2S2 MolecularWeight: 541.48314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC(=C3)CN4C=C(C=N4)Br

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC(=C3)CN4C=C(C=N4)Br

InChI

InChI=1S/C24H21BrN4O2S2/c1-31-23(30)21-12-20(11-16-6-3-2-4-7-16)33-22(21)28-24(32)27-19-9-5-8-17(10-19)14-29-15-18(25)13-26-29/h2-10,12-13,15H,11,14H2,1H3,(H2,27,28,32)