methyl 4-(1-phenylpropylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(1-phenylpropylcarbamothioylamino)benzoate Openeye Name: methyl 4-(1-phenylpropylcarbamothioylamino)benzoate CAS Name: 4-[[(1-phenylpropylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(1-phenylpropylcarbamothioylamino)benzoate Traditional Name: 4-(1-phenylpropylthiocarbamoylamino)benzoic acid methyl ester Formula: C18H20N2O2S MolecularWeight: 328.4286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H20N2O2S/c1-3-16(13-7-5-4-6-8-13)20-18(23)19-15-11-9-14(10-12-15)17(21)22-2/h4-12,16H,3H2,1-2H3,(H2,19,20,23)