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

Systemtic Name: N-[2-chloranyl-4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[2-chloro-4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[2-chloro-4-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[2-chloro-4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[2-chloro-4-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]phenyl]-2-furamide Formula: C22H18ClN3O4S MolecularWeight: 455.91402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O4S/c1-29-16-8-4-14(5-9-16)6-11-20(27)26-22(31)24-15-7-10-18(17(23)13-15)25-21(28)19-3-2-12-30-19/h2-13H,1H3,(H,25,28)(H2,24,26,27,31)/b11-6+