3-(2-oxidanylidenethiolan-3-yl)-1-phenethyl-1-(3-pyridin-4-ylpropyl)urea

Systemtic Name: 3-(2-oxidanylidenethiolan-3-yl)-1-phenethyl-1-(3-pyridin-4-ylpropyl)urea Openeye Name: 3-(2-oxotetrahydrothiophen-3-yl)-1-phenethyl-1-[3-(4-pyridyl)propyl]urea CAS Name: 3-(2-oxo-3-thiolanyl)-1-phenethyl-1-(3-pyridin-4-ylpropyl)urea IUPAC Name: 3-(2-oxothiolan-3-yl)-1-phenethyl-1-(3-pyridin-4-ylpropyl)urea Traditional Name: 3-(2-ketotetrahydrothiophen-3-yl)-1-phenethyl-1-[3-(4-pyridyl)propyl]urea Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=O)C1NC(=O)N(CCCC2=CC=NC=C2)CCC3=CC=CC=C3

Isomeric SMILES

C1CSC(=O)C1NC(=O)N(CCCC2=CC=NC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c25-20-19(11-16-27-20)23-21(26)24(15-10-17-5-2-1-3-6-17)14-4-7-18-8-12-22-13-9-18/h1-3,5-6,8-9,12-13,19H,4,7,10-11,14-16H2,(H,23,26)