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

Systemtic Name: N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[[(E)-3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]phenyl]-2-furamide Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CO3

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3O3S/c22-15-9-6-14(7-10-15)8-11-19(26)25-21(29)24-17-4-1-3-16(13-17)23-20(27)18-5-2-12-28-18/h1-13H,(H,23,27)(H2,24,25,26,29)/b11-8+