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

Systemtic Name: 2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]-N-phenethyl-benzamide Openeye Name: 2-[[(E)-3-(1-naphthyl)prop-2-enoyl]carbamothioylamino]-N-phenethyl-benzamide CAS Name: 2-[[[[(E)-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]-N-phenethylbenzamide Traditional Name: 2-[[(E)-3-(1-naphthyl)acryloyl]thiocarbamoylamino]-N-phenethyl-benzamide Formula: C29H25N3O2S MolecularWeight: 479.5927

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H25N3O2S/c33-27(18-17-23-13-8-12-22-11-4-5-14-24(22)23)32-29(35)31-26-16-7-6-15-25(26)28(34)30-20-19-21-9-2-1-3-10-21/h1-18H,19-20H2,(H,30,34)(H2,31,32,33,35)/b18-17+