methyl 2-[(4-bromanyl-2-ethyl-phenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-bromanyl-2-ethyl-phenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-bromo-2-ethyl-phenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(4-bromo-2-ethylanilino)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-2-ethylphenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(4-bromo-2-ethyl-phenyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H19BrN2O2S2 MolecularWeight: 427.37896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC

InChI

InChI=1S/C17H19BrN2O2S2/c1-5-11-8-12(18)6-7-13(11)19-17(23)20-15-14(16(21)22-4)9(2)10(3)24-15/h6-8H,5H2,1-4H3,(H2,19,20,23)