1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[4-(1-piperidylsulfonyl)phenyl]-3-(3-pyridylmethyl)thiourea CAS Name: 1-[4-(1-piperidinylsulfonyl)phenyl]-3-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(4-piperidinosulfonylphenyl)-3-(3-pyridylmethyl)thiourea Formula: C18H22N4O2S2 MolecularWeight: 390.52288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CN=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C18H22N4O2S2/c23-26(24,22-11-2-1-3-12-22)17-8-6-16(7-9-17)21-18(25)20-14-15-5-4-10-19-13-15/h4-10,13H,1-3,11-12,14H2,(H2,20,21,25)