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

Systemtic Name: 1-(2,5-dimethylphenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-(2-methoxy-5-piperidinosulfonyl-phenyl)thiourea Formula: C21H27N3O3S2 MolecularWeight: 433.58738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C21H27N3O3S2/c1-15-7-8-16(2)18(13-15)22-21(28)23-19-14-17(9-10-20(19)27-3)29(25,26)24-11-5-4-6-12-24/h7-10,13-14H,4-6,11-12H2,1-3H3,(H2,22,23,28)