4-oxidanylidene-N-(phenylmethyl)-4-[2-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]hydrazinyl]butanamide

Systemtic Name: 4-oxidanylidene-N-(phenylmethyl)-4-[2-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]hydrazinyl]butanamide Openeye Name: N-benzyl-4-oxo-4-[2-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]hydrazino]butanamide CAS Name: 4-oxo-4-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-oxo-4-[2-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]hydrazinyl]butanamide Traditional Name: N-benzyl-4-keto-4-[N'-[[(E)-3-phenylacryloyl]thiocarbamoyl]hydrazino]butyramide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=S)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H22N4O3S/c26-18(22-15-17-9-5-2-6-10-17)13-14-20(28)24-25-21(29)23-19(27)12-11-16-7-3-1-4-8-16/h1-12H,13-15H2,(H,22,26)(H,24,28)(H2,23,25,27,29)/b12-11+