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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=C(C=CC(=C3)F)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=C(C=CC(=C3)F)C

InChI

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