N-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]phenyl]-2-furamide Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3)OC

InChI

InChI=1S/C23H21N3O5S/c1-29-18-10-8-15(13-20(18)30-2)9-11-21(27)26-23(32)25-17-6-3-5-16(14-17)24-22(28)19-7-4-12-31-19/h3-14H,1-2H3,(H,24,28)(H2,25,26,27,32)/b11-9+