4-[2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxidanylidene-N-phenyl-butanamide

Systemtic Name: 4-[2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxidanylidene-N-phenyl-butanamide Openeye Name: 4-[2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl]hydrazino]-4-oxo-N-phenyl-butanamide CAS Name: 4-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-4-oxo-N-phenylbutanamide IUPAC Name: 4-[2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxo-N-phenylbutanamide Traditional Name: 4-[N'-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoyl]hydrazino]-4-keto-N-phenyl-butyramide Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2)OC

InChI

InChI=1S/C22H24N4O5S/c1-30-17-10-8-15(14-18(17)31-2)9-11-20(28)24-22(32)26-25-21(29)13-12-19(27)23-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,25,29)(H2,24,26,28,32)/b11-9+