3-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide

Systemtic Name: 3-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 3-[[(E)-3-(1-naphthyl)prop-2-enoyl]carbamothioylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 3-[[[[(E)-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 3-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 3-[[(E)-3-(1-naphthyl)acryloyl]thiocarbamoylamino]-N-(tetrahydrofurfuryl)benzamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C=CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H25N3O3S/c30-24(14-13-19-8-3-7-18-6-1-2-12-23(18)19)29-26(33)28-21-10-4-9-20(16-21)25(31)27-17-22-11-5-15-32-22/h1-4,6-10,12-14,16,22H,5,11,15,17H2,(H,27,31)(H2,28,29,30,33)/b14-13+