ethyl 2-[(3-bromophenyl)methylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-bromophenyl)methylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-bromophenyl)methylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(3-bromophenyl)methylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromophenyl)methylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(3-bromobenzyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H21BrN2O2S2 MolecularWeight: 489.44834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H21BrN2O2S2/c1-3-27-21(26)19-18(16-9-5-4-6-10-16)14(2)29-20(19)25-22(28)24-13-15-8-7-11-17(23)12-15/h4-12H,3,13H2,1-2H3,(H2,24,25,28)