1-(2,6-diethylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(2,6-diethylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(2,6-diethylphenyl)-3-[4-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-(2,6-diethylphenyl)-3-[4-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(2,6-diethylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(2,6-diethylphenyl)-3-(4-piperidinosulfonylphenyl)thiourea Formula: C22H29N3O2S2 MolecularWeight: 431.61456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S2/c1-3-17-9-8-10-18(4-2)21(17)24-22(28)23-19-11-13-20(14-12-19)29(26,27)25-15-6-5-7-16-25/h8-14H,3-7,15-16H2,1-2H3,(H2,23,24,28)