methyl 2-[(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 2-[[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C24H23FN2O2S2 MolecularWeight: 454.580023

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(N1C(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC)C=CC(=C2)F

Isomeric SMILES

CC1CCC2=C(N1C(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC)C=CC(=C2)F

InChI

InChI=1S/C24H23FN2O2S2/c1-15-8-9-17-13-18(25)10-11-21(17)27(15)24(30)26-22-20(23(28)29-2)14-19(31-22)12-16-6-4-3-5-7-16/h3-7,10-11,13-15H,8-9,12H2,1-2H3,(H,26,30)