N-[4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]phenyl]benzamide

Systemtic Name: N-[4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]phenyl]benzamide Openeye Name: N-[4-[[(E)-3-(1-naphthyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide CAS Name: N-[4-[[[[(E)-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: N-[4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]phenyl]benzamide Traditional Name: N-[4-[[(E)-3-(1-naphthyl)acryloyl]thiocarbamoylamino]phenyl]benzamide Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H21N3O2S/c31-25(18-13-20-11-6-10-19-7-4-5-12-24(19)20)30-27(33)29-23-16-14-22(15-17-23)28-26(32)21-8-2-1-3-9-21/h1-18H,(H,28,32)(H2,29,30,31,33)/b18-13+