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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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