N-[2-chloranyl-4-(3-phenylprop-2-enoylcarbamothioylamino)phenyl]furan-2-carboxamide

Systemtic Name: N-[2-chloranyl-4-(3-phenylprop-2-enoylcarbamothioylamino)phenyl]furan-2-carboxamide Openeye Name: N-[2-chloro-4-(3-phenylprop-2-enoylcarbamothioylamino)phenyl]furan-2-carboxamide CAS Name: N-[2-chloro-4-[[[(1-oxo-3-phenylprop-2-enyl)amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[2-chloro-4-(3-phenylprop-2-enoylcarbamothioylamino)phenyl]furan-2-carboxamide Traditional Name: N-[2-chloro-4-(cinnamoylthiocarbamoylamino)phenyl]-2-furamide Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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