methyl 2-(3-naphthalen-1-ylprop-2-enoylcarbamothioylamino)benzoate

Systemtic Name: methyl 2-(3-naphthalen-1-ylprop-2-enoylcarbamothioylamino)benzoate Openeye Name: methyl 2-[3-(1-naphthyl)prop-2-enoylcarbamothioylamino]benzoate CAS Name: 2-[[[[3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(3-naphthalen-1-ylprop-2-enoylcarbamothioylamino)benzoate Traditional Name: 2-[[3-(1-naphthyl)acryloyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C=CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C=CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H18N2O3S/c1-27-21(26)18-11-4-5-12-19(18)23-22(28)24-20(25)14-13-16-9-6-8-15-7-2-3-10-17(15)16/h2-14H,1H3,(H2,23,24,25,28)