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

Systemtic Name: 1-(4-ethylphenyl)-3-(4-methoxy-2-piperidin-1-ylsulfonyl-phenyl)thiourea Openeye Name: 1-(4-ethylphenyl)-3-[4-methoxy-2-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-(4-ethylphenyl)-3-[4-methoxy-2-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(4-ethylphenyl)-3-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(4-ethylphenyl)-3-(4-methoxy-2-piperidinosulfonyl-phenyl)thiourea Formula: C21H27N3O3S2 MolecularWeight: 433.58738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)OC)S(=O)(=O)N3CCCCC3

InChI

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