2-chloranyl-N-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide

Systemtic Name: 2-chloranyl-N-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Openeye Name: 2-chloro-N-[3-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide CAS Name: 2-chloro-N-[3-[[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-chloro-N-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Traditional Name: 2-chloro-N-[3-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]phenyl]benzamide Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C=CC3=CC=CO3)Cl

Isomeric SMILES

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

InChI

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