N-[3-(3-phenylprop-2-enoylcarbamothioylamino)phenyl]pentanamide

Systemtic Name: N-[3-(3-phenylprop-2-enoylcarbamothioylamino)phenyl]pentanamide Openeye Name: N-[3-(3-phenylprop-2-enoylcarbamothioylamino)phenyl]pentanamide CAS Name: N-[3-[[[(1-oxo-3-phenylprop-2-enyl)amino]-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[3-(3-phenylprop-2-enoylcarbamothioylamino)phenyl]pentanamide Traditional Name: N-[3-(cinnamoylthiocarbamoylamino)phenyl]valeramide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O2S/c1-2-3-12-19(25)22-17-10-7-11-18(15-17)23-21(27)24-20(26)14-13-16-8-5-4-6-9-16/h4-11,13-15H,2-3,12H2,1H3,(H,22,25)(H2,23,24,26,27)