1-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 1-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-3-(2-oxolanylmethyl)thiourea IUPAC Name: 1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-(2-methoxy-5-piperidinosulfonyl-phenyl)-3-(tetrahydrofurfuryl)thiourea Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NCC3CCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NCC3CCCO3

InChI

InChI=1S/C18H27N3O4S2/c1-24-17-8-7-15(27(22,23)21-9-3-2-4-10-21)12-16(17)20-18(26)19-13-14-6-5-11-25-14/h7-8,12,14H,2-6,9-11,13H2,1H3,(H2,19,20,26)