(2S)-N-(3-chlorophenyl)-2-[(4-fluorophenyl)methylcarbamothioyl-propyl-amino]propanamide

Systemtic Name: (2S)-N-(3-chlorophenyl)-2-[(4-fluorophenyl)methylcarbamothioyl-propyl-amino]propanamide Openeye Name: (2S)-N-(3-chlorophenyl)-2-[(4-fluorophenyl)methylcarbamothioyl-propyl-amino]propanamide CAS Name: (2S)-N-(3-chlorophenyl)-2-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]-propylamino]propanamide IUPAC Name: (2S)-N-(3-chlorophenyl)-2-[(4-fluorophenyl)methylcarbamothioyl-propylamino]propanamide Traditional Name: (2S)-N-(3-chlorophenyl)-2-[(4-fluorobenzyl)thiocarbamoyl-propyl-amino]propionamide Formula: C20H23ClFN3OS MolecularWeight: 407.932523

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(C)C(=O)NC1=CC(=CC=C1)Cl)C(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCCN([C@@H](C)C(=O)NC1=CC(=CC=C1)Cl)C(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C20H23ClFN3OS/c1-3-11-25(20(27)23-13-15-7-9-17(22)10-8-15)14(2)19(26)24-18-6-4-5-16(21)12-18/h4-10,12,14H,3,11,13H2,1-2H3,(H,23,27)(H,24,26)/t14-/m0/s1