1-methyl-3-phenyl-1-(4-pyrrolidin-1-ylpyridin-2-yl)sulfanyl-urea

Systemtic Name: 1-methyl-3-phenyl-1-(4-pyrrolidin-1-ylpyridin-2-yl)sulfanyl-urea Openeye Name: 1-methyl-3-phenyl-1-[(4-pyrrolidin-1-yl-2-pyridyl)sulfanyl]urea CAS Name: 1-methyl-3-phenyl-1-[[4-(1-pyrrolidinyl)-2-pyridinyl]thio]urea IUPAC Name: 1-methyl-3-phenyl-1-(4-pyrrolidin-1-ylpyridin-2-yl)sulfanylurea Traditional Name: 1-methyl-3-phenyl-1-[(4-pyrrolidino-2-pyridyl)thio]urea Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)NC1=CC=CC=C1)SC2=NC=CC(=C2)N3CCCC3

Isomeric SMILES

CN(C(=O)NC1=CC=CC=C1)SC2=NC=CC(=C2)N3CCCC3

InChI

InChI=1S/C17H20N4OS/c1-20(17(22)19-14-7-3-2-4-8-14)23-16-13-15(9-10-18-16)21-11-5-6-12-21/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,19,22)