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

Systemtic Name: dimethyl 5-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H23BrN4O4S2 MolecularWeight: 551.47642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(N(N=C2C)CC3=CC=C(C=C3)Br)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(N(N=C2C)CC3=CC=C(C=C3)Br)C)C(=O)OC

InChI

InChI=1S/C22H23BrN4O4S2/c1-11-16(20(28)30-4)19(33-18(11)21(29)31-5)25-22(32)24-17-12(2)26-27(13(17)3)10-14-6-8-15(23)9-7-14/h6-9H,10H2,1-5H3,(H2,24,25,32)