ethyl 4-(4-fluorophenyl)-2-[(4-methyl-1,4-diazepan-1-yl)carbothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-[(4-methyl-1,4-diazepan-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-[(4-methyl-1,4-diazepane-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[(4-methyl-1,4-diazepan-1-yl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-[(4-methyl-1,4-diazepane-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[(4-methyl-1,4-diazepane-1-carbothioyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H24FN3O2S2 MolecularWeight: 421.551863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=S)N3CCCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=S)N3CCCN(CC3)C

InChI

InChI=1S/C20H24FN3O2S2/c1-3-26-19(25)17-16(14-5-7-15(21)8-6-14)13-28-18(17)22-20(27)24-10-4-9-23(2)11-12-24/h5-8,13H,3-4,9-12H2,1-2H3,(H,22,27)