1-(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)-3-phenethyl-thiourea

Systemtic Name: 1-(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)-3-phenethyl-thiourea Openeye Name: 1-[4-methyl-2-(1-piperidylsulfonyl)phenyl]-3-phenethyl-thiourea CAS Name: 1-[4-methyl-2-(1-piperidinylsulfonyl)phenyl]-3-phenethylthiourea IUPAC Name: 1-(4-methyl-2-piperidin-1-ylsulfonylphenyl)-3-phenethylthiourea Traditional Name: 1-(4-methyl-2-piperidinosulfonyl-phenyl)-3-phenethyl-thiourea Formula: C21H27N3O2S2 MolecularWeight: 417.58798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NCCC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NCCC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O2S2/c1-17-10-11-19(20(16-17)28(25,26)24-14-6-3-7-15-24)23-21(27)22-13-12-18-8-4-2-5-9-18/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3,(H2,22,23,27)