N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]pentanamide CAS Name: N-[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[3-(3-phenylpropoxy)phenyl]thiocarbamoyl]valeramide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC(=CC=C1)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC(=CC=C1)OCCCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2S/c1-2-3-14-20(24)23-21(26)22-18-12-7-13-19(16-18)25-15-8-11-17-9-5-4-6-10-17/h4-7,9-10,12-13,16H,2-3,8,11,14-15H2,1H3,(H2,22,23,24,26)