ethyl 5-[(3-bromophenyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(3-bromophenyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(3-bromophenyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-bromophenyl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[(3-bromophenyl)thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C15H15BrN2O2S2 MolecularWeight: 399.3258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NC2=CC(=CC=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NC2=CC(=CC=C2)Br)C

InChI

InChI=1S/C15H15BrN2O2S2/c1-3-20-14(19)13-9(2)7-12(22-13)18-15(21)17-11-6-4-5-10(16)8-11/h4-8H,3H2,1-2H3,(H2,17,18,21)