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

Systemtic Name: N-[2-bromanyl-4-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Openeye Name: N-[2-bromo-4-[[(E)-3-(5-phenyl-2-furyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide CAS Name: N-[2-bromo-4-[[[[(E)-1-oxo-3-(5-phenyl-2-furanyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: N-[2-bromo-4-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Traditional Name: N-[2-bromo-4-[[(E)-3-(5-phenyl-2-furyl)acryloyl]thiocarbamoylamino]phenyl]benzamide Formula: C27H20BrN3O3S MolecularWeight: 546.435

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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)Br

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)Br

InChI

InChI=1S/C27H20BrN3O3S/c28-22-17-20(11-14-23(22)30-26(33)19-9-5-2-6-10-19)29-27(35)31-25(32)16-13-21-12-15-24(34-21)18-7-3-1-4-8-18/h1-17H,(H,30,33)(H2,29,31,32,35)/b16-13+