(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioate Openeye Name: 1-benzyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)-3-phenyl-isothiourea CAS Name: N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) N-benzyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 1-benzyl-2-(2-keto-2-pyrrolidino-ethyl)-1-methyl-3-phenyl-isothiourea Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=NC2=CC=CC=C2)SCC(=O)N3CCCC3

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=NC2=CC=CC=C2)SCC(=O)N3CCCC3

InChI

InChI=1S/C21H25N3OS/c1-23(16-18-10-4-2-5-11-18)21(22-19-12-6-3-7-13-19)26-17-20(25)24-14-8-9-15-24/h2-7,10-13H,8-9,14-17H2,1H3