N-(4-fluorophenyl)-2-[4-(5-methylsulfanylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-(5-methylsulfanylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(5-methylsulfanylthiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[[5-(methylthio)-2-thiophenyl]-oxomethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(5-methylsulfanylthiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[5-(methylthio)thiophene-2-carbonyl]-1,4-diazepan-1-yl]acetamide Formula: C19H22FN3O2S2 MolecularWeight: 407.525283

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(S1)C(=O)N2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CSC1=CC=C(S1)C(=O)N2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C19H22FN3O2S2/c1-26-18-8-7-16(27-18)19(25)23-10-2-9-22(11-12-23)13-17(24)21-15-5-3-14(20)4-6-15/h3-8H,2,9-13H2,1H3,(H,21,24)