methyl 2-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(4-bromophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[1-(4-bromobenzyl)pyrazol-3-yl]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=NN(C=C2)CC3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Br)C(=O)OC

InChI

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