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

Systemtic Name: N-[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[4-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[4-[[(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=COC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3O3S/c22-15-6-3-14(4-7-15)5-12-19(26)25-21(29)24-17-10-8-16(9-11-17)23-20(27)18-2-1-13-28-18/h1-13H,(H,23,27)(H2,24,25,26,29)/b12-5+