1-(2,6-dimethylphenyl)-3-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)thiourea Openeye Name: 1-(2,6-dimethylphenyl)-3-[4-methyl-3-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-(2,6-dimethylphenyl)-3-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(2,6-dimethylphenyl)-3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(2,6-dimethylphenyl)-3-(4-methyl-3-piperidinosulfonyl-phenyl)thiourea Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S2/c1-15-10-11-18(14-19(15)28(25,26)24-12-5-4-6-13-24)22-21(27)23-20-16(2)8-7-9-17(20)3/h7-11,14H,4-6,12-13H2,1-3H3,(H2,22,23,27)