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

Systemtic Name: ethyl 2-[(2-bromophenyl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-bromophenyl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(2-bromophenyl)methylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-bromophenyl)methylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-bromobenzyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H19BrN2O2S2 MolecularWeight: 475.42176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC3=CC=CC=C3Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC3=CC=CC=C3Br

InChI

InChI=1S/C21H19BrN2O2S2/c1-2-26-20(25)16-12-18(14-8-4-3-5-9-14)28-19(16)24-21(27)23-13-15-10-6-7-11-17(15)22/h3-12H,2,13H2,1H3,(H2,23,24,27)