1-(4-ethoxyphenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)thiourea

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C21H27N3O4S2/c1-3-28-17-9-7-16(8-10-17)22-21(29)23-19-15-18(11-12-20(19)27-2)30(25,26)24-13-5-4-6-14-24/h7-12,15H,3-6,13-14H2,1-2H3,(H2,22,23,29)