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

Systemtic Name: methyl 2-[[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(4-bromo-1-pyrazolyl)methyl]anilino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-[(4-bromopyrazol-1-yl)methyl]phenyl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H17BrN4O2S2 MolecularWeight: 465.38718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)CN3C=C(C=N3)Br)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)CN3C=C(C=N3)Br)C(=O)OC

InChI

InChI=1S/C18H17BrN4O2S2/c1-11-7-15(17(24)25-2)16(27-11)22-18(26)21-14-5-3-12(4-6-14)9-23-10-13(19)8-20-23/h3-8,10H,9H2,1-2H3,(H2,21,22,26)