2-fluoranyl-N-[3-methyl-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzamide

Systemtic Name: 2-fluoranyl-N-[3-methyl-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzamide Openeye Name: 2-fluoro-N-[2-methyl-1-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]propyl]benzamide CAS Name: 2-fluoro-N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzamide IUPAC Name: 2-fluoro-N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzamide Traditional Name: 2-fluoro-N-[2-methyl-1-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]propyl]benzamide Formula: C22H28FN3O2S MolecularWeight: 417.540023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCN(CC1)CC2=CC=CS2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)C(C(=O)N1CCCN(CC1)CC2=CC=CS2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H28FN3O2S/c1-16(2)20(24-21(27)18-8-3-4-9-19(18)23)22(28)26-11-6-10-25(12-13-26)15-17-7-5-14-29-17/h3-5,7-9,14,16,20H,6,10-13,15H2,1-2H3,(H,24,27)