1-[(4-methoxyphenyl)methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)thiourea Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(2-methoxy-5-piperidinosulfonyl-phenyl)-3-p-anisyl-thiourea Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C21H27N3O4S2/c1-27-17-8-6-16(7-9-17)15-22-21(29)23-19-14-18(10-11-20(19)28-2)30(25,26)24-12-4-3-5-13-24/h6-11,14H,3-5,12-13,15H2,1-2H3,(H2,22,23,29)