3-methyl-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]butanamide Openeye Name: 3-methyl-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]butanamide CAS Name: 3-methyl-N-[[3-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]butanamide Traditional Name: N-[[3-(hydrocinnamoylamino)phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O2S/c1-15(2)13-20(26)24-21(27)23-18-10-6-9-17(14-18)22-19(25)12-11-16-7-4-3-5-8-16/h3-10,14-15H,11-13H2,1-2H3,(H,22,25)(H2,23,24,26,27)