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

Systemtic Name: N-[4-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Openeye Name: N-[4-[[(E)-3-(5-phenyl-2-furyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide CAS Name: N-[4-[[[[(E)-1-oxo-3-(5-phenyl-2-furanyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: N-[4-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Traditional Name: N-[4-[[(E)-3-(5-phenyl-2-furyl)acryloyl]thiocarbamoylamino]phenyl]benzamide Formula: C27H21N3O3S MolecularWeight: 467.53894

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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

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

InChI

InChI=1S/C27H21N3O3S/c31-25(18-16-23-15-17-24(33-23)19-7-3-1-4-8-19)30-27(34)29-22-13-11-21(12-14-22)28-26(32)20-9-5-2-6-10-20/h1-18H,(H,28,32)(H2,29,30,31,34)/b18-16+