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

Systemtic Name: N-(3-methylphenyl)-3-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(m-tolyl)-3-[[(E)-3-(1-naphthyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(3-methylphenyl)-3-[[[[(E)-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-methylphenyl)-3-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(m-tolyl)-3-[[(E)-3-(1-naphthyl)acryloyl]thiocarbamoylamino]benzamide Formula: C28H23N3O2S MolecularWeight: 465.56612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C=CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H23N3O2S/c1-19-7-4-12-23(17-19)29-27(33)22-11-6-13-24(18-22)30-28(34)31-26(32)16-15-21-10-5-9-20-8-2-3-14-25(20)21/h2-18H,1H3,(H,29,33)(H2,30,31,32,34)/b16-15+