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

Systemtic Name: 1-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-(2-methoxy-5-piperidinosulfonyl-phenyl)-3-[3-(methylthio)propyl]thiourea Formula: C17H27N3O3S3 MolecularWeight: 417.60958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3S3/c1-23-16-8-7-14(26(21,22)20-10-4-3-5-11-20)13-15(16)19-17(24)18-9-6-12-25-2/h7-8,13H,3-6,9-12H2,1-2H3,(H2,18,19,24)