ethyl 3-[2-naphthalen-1-ylethanoylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[2-naphthalen-1-ylethanoylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[[2-(1-naphthyl)acetyl]carbamothioyl]amino]propanoate CAS Name: 3-[[[[2-(1-naphthalenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(2-naphthalen-1-ylacetyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[[2-(1-naphthyl)acetyl]thiocarbamoyl]amino]propionic acid ethyl ester Formula: C25H26N2O3S MolecularWeight: 434.55054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H26N2O3S/c1-2-30-24(29)15-16-27(18-19-9-4-3-5-10-19)25(31)26-23(28)17-21-13-8-12-20-11-6-7-14-22(20)21/h3-14H,2,15-18H2,1H3,(H,26,28,31)