methyl 4-methyl-3-(naphthalen-1-ylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-methyl-3-(naphthalen-1-ylcarbamothioylamino)benzoate Openeye Name: methyl 4-methyl-3-(1-naphthylcarbamothioylamino)benzoate CAS Name: 4-methyl-3-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-(naphthalen-1-ylcarbamothioylamino)benzoate Traditional Name: 4-methyl-3-(1-naphthylthiocarbamoylamino)benzoic acid methyl ester Formula: C20H18N2O2S MolecularWeight: 350.43412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H18N2O2S/c1-13-10-11-15(19(23)24-2)12-18(13)22-20(25)21-17-9-5-7-14-6-3-4-8-16(14)17/h3-12H,1-2H3,(H2,21,22,25)