1-(4-methoxy-2-piperidin-1-ylsulfonyl-phenyl)-3-pyridin-3-yl-thiourea

Systemtic Name: 1-(4-methoxy-2-piperidin-1-ylsulfonyl-phenyl)-3-pyridin-3-yl-thiourea Openeye Name: 1-[4-methoxy-2-(1-piperidylsulfonyl)phenyl]-3-(3-pyridyl)thiourea CAS Name: 1-[4-methoxy-2-(1-piperidinylsulfonyl)phenyl]-3-(3-pyridinyl)thiourea IUPAC Name: 1-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-3-pyridin-3-ylthiourea Traditional Name: 1-(4-methoxy-2-piperidinosulfonyl-phenyl)-3-(3-pyridyl)thiourea Formula: C18H22N4O3S2 MolecularWeight: 406.52228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)NC2=CN=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)NC2=CN=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H22N4O3S2/c1-25-15-7-8-16(21-18(26)20-14-6-5-9-19-13-14)17(12-15)27(23,24)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H2,20,21,26)