3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl]amino]propanamide CAS Name: 3-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl]amino]propanamide Traditional Name: 3-[benzyl-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoyl]amino]propionamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2)OC

InChI

InChI=1S/C22H25N3O4S/c1-28-18-10-8-16(14-19(18)29-2)9-11-21(27)24-22(30)25(13-12-20(23)26)15-17-6-4-3-5-7-17/h3-11,14H,12-13,15H2,1-2H3,(H2,23,26)(H,24,27,30)/b11-9+