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

Systemtic Name: methyl 2-[(3-bromophenyl)methylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 2-[(3-bromophenyl)methylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(3-bromobenzyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H19BrN2O2S2 MolecularWeight: 475.42176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NCC2=CC(=CC=C2)Br)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NCC2=CC(=CC=C2)Br)C(=O)OC)C3=CC=CC=C3

InChI

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