3-[3-(4-fluorophenyl)sulfanylpropanoylamino]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-[3-(4-fluorophenyl)sulfanylpropanoylamino]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-[3-(4-fluorophenyl)sulfanylpropanoylamino]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-[3-(4-fluorophenyl)sulfanylpropanoylamino]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-[3-[(4-fluorophenyl)thio]propanoylamino]-4-pyrrolidino-benzamide Formula: C20H22FN3O2S MolecularWeight: 387.470983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N)NC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N)NC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3O2S/c21-15-4-6-16(7-5-15)27-12-9-19(25)23-17-13-14(20(22)26)3-8-18(17)24-10-1-2-11-24/h3-8,13H,1-2,9-12H2,(H2,22,26)(H,23,25)