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

Systemtic Name: methyl 2-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(4-bromophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[1-(4-bromobenzyl)pyrazol-3-yl]thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H22BrN5O3S2 MolecularWeight: 536.46508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Br)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Br)C(=O)N(C)C

InChI

InChI=1S/C21H22BrN5O3S2/c1-12-16(20(29)30-4)18(32-17(12)19(28)26(2)3)24-21(31)23-15-9-10-27(25-15)11-13-5-7-14(22)8-6-13/h5-10H,11H2,1-4H3,(H2,23,24,25,31)