1-(pyridin-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(pyridin-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(2-pyridylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-(2-pyridinylmethyl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(pyridin-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(2-pyridylmethyl)-3-(4-pyrrolidinosulfonylphenyl)thiourea Formula: C17H20N4O2S2 MolecularWeight: 376.4963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CC=N3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CC=N3

InChI

InChI=1S/C17H20N4O2S2/c22-25(23,21-11-3-4-12-21)16-8-6-14(7-9-16)20-17(24)19-13-15-5-1-2-10-18-15/h1-2,5-10H,3-4,11-13H2,(H2,19,20,24)