1-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-3-phenethyl-thiourea

Systemtic Name: 1-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-3-phenethyl-thiourea Openeye Name: 1-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-3-phenethyl-thiourea CAS Name: 1-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-3-phenethylthiourea IUPAC Name: 1-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-phenethylthiourea Traditional Name: 1-(2-methyl-5-piperidinosulfonyl-phenyl)-3-phenethyl-thiourea Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S2/c1-17-10-11-19(28(25,26)24-14-6-3-7-15-24)16-20(17)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)