methyl 3-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[(3-fluoro-4-methyl-phenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(3-fluoro-4-methylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(3-fluoro-4-methyl-phenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H15FN2O2S2 MolecularWeight: 374.452303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=C(SC3=CC=CC=C32)C(=O)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=C(SC3=CC=CC=C32)C(=O)OC)F

InChI

InChI=1S/C18H15FN2O2S2/c1-10-7-8-11(9-13(10)19)20-18(24)21-15-12-5-3-4-6-14(12)25-16(15)17(22)23-2/h3-9H,1-2H3,(H2,20,21,24)