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

Systemtic Name: methyl 2-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(4-bromophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[1-(4-bromobenzyl)pyrazol-3-yl]thiocarbamoylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H26BrN5O3S2 MolecularWeight: 564.51824

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Br)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Br)C(=O)OC)C

InChI

InChI=1S/C23H26BrN5O3S2/c1-5-28(6-2)21(30)19-14(3)18(22(31)32-4)20(34-19)26-23(33)25-17-11-12-29(27-17)13-15-7-9-16(24)10-8-15/h7-12H,5-6,13H2,1-4H3,(H2,25,26,27,33)