N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-2-fluorobenzamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]-2-fluoro-benzamide Formula: C18H18FN3O2S MolecularWeight: 359.417823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)N)C(=S)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)N)C(=S)NC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C18H18FN3O2S/c19-15-9-5-4-8-14(15)17(24)21-18(25)22(11-10-16(20)23)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,20,23)(H,21,24,25)