ethyl 2-[(4-fluorophenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-fluorophenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-fluorophenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-fluorophenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-fluorophenyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H21FN2O2S2 MolecularWeight: 392.510643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C19H21FN2O2S2/c1-3-24-18(23)16-14-9-4-11(2)10-15(14)26-17(16)22-19(25)21-13-7-5-12(20)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3,(H2,21,22,25)