(2-morpholin-4-yl-2-oxidanylidene-ethyl) N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioate Openeye Name: 1-benzyl-1-methyl-2-(2-morpholino-2-oxo-ethyl)-3-phenyl-isothiourea CAS Name: N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) N-benzyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 1-benzyl-2-(2-keto-2-morpholino-ethyl)-1-methyl-3-phenyl-isothiourea Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=NC2=CC=CC=C2)SCC(=O)N3CCOCC3

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=NC2=CC=CC=C2)SCC(=O)N3CCOCC3

InChI

InChI=1S/C21H25N3O2S/c1-23(16-18-8-4-2-5-9-18)21(22-19-10-6-3-7-11-19)27-17-20(25)24-12-14-26-15-13-24/h2-11H,12-17H2,1H3