N-[4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)phenyl]-2-(4-fluorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)phenyl]-2-(4-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]-2-(4-fluorophenyl)sulfanyl-acetamide CAS Name: N-[4-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]phenyl]-2-[(4-fluorophenyl)thio]acetamide IUPAC Name: N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]-2-(4-fluorophenyl)sulfanylacetamide Traditional Name: N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]-2-[(4-fluorophenyl)thio]acetamide Formula: C23H26FN3O2S MolecularWeight: 427.534843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O2S/c24-18-4-10-21(11-5-18)30-16-22(28)25-19-6-8-20(9-7-19)26-12-1-13-27(15-14-26)23(29)17-2-3-17/h4-11,17H,1-3,12-16H2,(H,25,28)