N-[(4-fluorophenyl)methyl]-5-(2-phenylsulfanylethanoylamino)-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-5-(2-phenylsulfanylethanoylamino)-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[(4-fluorophenyl)methyl]-5-[(2-phenylsulfanylacetyl)amino]-2-pyrrolidin-1-yl-benzamide CAS Name: N-[(4-fluorophenyl)methyl]-5-[[1-oxo-2-(phenylthio)ethyl]amino]-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(4-fluorophenyl)methyl]-5-[(2-phenylsulfanylacetyl)amino]-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(4-fluorobenzyl)-5-[[2-(phenylthio)acetyl]amino]-2-pyrrolidino-benzamide Formula: C26H26FN3O2S MolecularWeight: 463.566943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)CSC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)CSC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H26FN3O2S/c27-20-10-8-19(9-11-20)17-28-26(32)23-16-21(12-13-24(23)30-14-4-5-15-30)29-25(31)18-33-22-6-2-1-3-7-22/h1-3,6-13,16H,4-5,14-15,17-18H2,(H,28,32)(H,29,31)