N-[2-methoxy-4-(3-phenylprop-2-enoylcarbamothioylamino)phenyl]pentanamide

Systemtic Name: N-[2-methoxy-4-(3-phenylprop-2-enoylcarbamothioylamino)phenyl]pentanamide Openeye Name: N-[2-methoxy-4-(3-phenylprop-2-enoylcarbamothioylamino)phenyl]pentanamide CAS Name: N-[2-methoxy-4-[[[(1-oxo-3-phenylprop-2-enyl)amino]-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[2-methoxy-4-(3-phenylprop-2-enoylcarbamothioylamino)phenyl]pentanamide Traditional Name: N-[4-(cinnamoylthiocarbamoylamino)-2-methoxy-phenyl]valeramide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-3-4-10-20(26)24-18-13-12-17(15-19(18)28-2)23-22(29)25-21(27)14-11-16-8-6-5-7-9-16/h5-9,11-15H,3-4,10H2,1-2H3,(H,24,26)(H2,23,25,27,29)