3-chloranyl-N-[4-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide

Systemtic Name: 3-chloranyl-N-[4-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Openeye Name: 3-chloro-N-[4-[[(E)-3-(5-phenyl-2-furyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide CAS Name: 3-chloro-N-[4-[[[[(E)-1-oxo-3-(5-phenyl-2-furanyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 3-chloro-N-[4-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Traditional Name: 3-chloro-N-[4-[[(E)-3-(5-phenyl-2-furyl)acryloyl]thiocarbamoylamino]phenyl]benzamide Formula: C27H20ClN3O3S MolecularWeight: 501.984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(O2)C=CC(=O)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(O2)/C=C/C(=O)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H20ClN3O3S/c28-20-8-4-7-19(17-20)26(33)29-21-9-11-22(12-10-21)30-27(35)31-25(32)16-14-23-13-15-24(34-23)18-5-2-1-3-6-18/h1-17H,(H,29,33)(H2,30,31,32,35)/b16-14+