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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)NC(=S)NC3=CN=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)NC(=S)NC3=CN=CC=C3

InChI

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