3-chloranyl-N-[4-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]phenyl]benzamide

Systemtic Name: 3-chloranyl-N-[4-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]phenyl]benzamide Openeye Name: 3-chloro-N-[4-[3-(2-furyl)prop-2-enoylcarbamothioylamino]phenyl]benzamide CAS Name: 3-chloro-N-[4-[[[[3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 3-chloro-N-[4-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]phenyl]benzamide Traditional Name: 3-chloro-N-[4-[[3-(2-furyl)acryloyl]thiocarbamoylamino]phenyl]benzamide Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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