1-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-3-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 1-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-3-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-3-(2-oxolanylmethyl)thiourea IUPAC Name: 1-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-(4-methyl-3-piperidinosulfonyl-phenyl)-3-(tetrahydrofurfuryl)thiourea Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2CCCO2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC2CCCO2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H27N3O3S2/c1-14-7-8-15(20-18(25)19-13-16-6-5-11-24-16)12-17(14)26(22,23)21-9-3-2-4-10-21/h7-8,12,16H,2-6,9-11,13H2,1H3,(H2,19,20,25)