1-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-[(2S)-1-methoxypropan-2-yl]thiourea

Systemtic Name: 1-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-[(2S)-1-methoxypropan-2-yl]thiourea Openeye Name: 1-[(1S)-2-methoxy-1-methyl-ethyl]-3-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-3-[(2S)-1-methoxypropan-2-yl]thiourea IUPAC Name: 1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-[(2S)-1-methoxypropan-2-yl]thiourea Traditional Name: 1-[(1S)-2-methoxy-1-methyl-ethyl]-3-(2-methoxy-5-piperidinosulfonyl-phenyl)thiourea Formula: C17H27N3O4S2 MolecularWeight: 401.54398

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC

Isomeric SMILES

C[C@@H](COC)NC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC

InChI

InChI=1S/C17H27N3O4S2/c1-13(12-23-2)18-17(25)19-15-11-14(7-8-16(15)24-3)26(21,22)20-9-5-4-6-10-20/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H2,18,19,25)/t13-/m0/s1