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

Systemtic Name: 1-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-(3-methylphenyl)thiourea Openeye Name: 1-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-3-(m-tolyl)thiourea CAS Name: 1-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-3-(3-methylphenyl)thiourea IUPAC Name: 1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(3-methylphenyl)thiourea Traditional Name: 1-(2-methoxy-5-piperidinosulfonyl-phenyl)-3-(m-tolyl)thiourea Formula: C20H25N3O3S2 MolecularWeight: 419.5608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S2/c1-15-7-6-8-16(13-15)21-20(27)22-18-14-17(9-10-19(18)26-2)28(24,25)23-11-4-3-5-12-23/h6-10,13-14H,3-5,11-12H2,1-2H3,(H2,21,22,27)