1-decan-5-yl-3-(2,6-diethylphenyl)thiourea

Systemtic Name: 1-decan-5-yl-3-(2,6-diethylphenyl)thiourea Openeye Name: 1-(1-butylhexyl)-3-(2,6-diethylphenyl)thiourea CAS Name: 1-decan-5-yl-3-(2,6-diethylphenyl)thiourea IUPAC Name: 1-decan-5-yl-3-(2,6-diethylphenyl)thiourea Traditional Name: 1-(1-butylhexyl)-3-(2,6-diethylphenyl)thiourea Formula: C21H36N2S MolecularWeight: 348.58894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC)NC(=S)NC1=C(C=CC=C1CC)CC

Isomeric SMILES

CCCCCC(CCCC)NC(=S)NC1=C(C=CC=C1CC)CC

InChI

InChI=1S/C21H36N2S/c1-5-9-11-16-19(15-10-6-2)22-21(24)23-20-17(7-3)13-12-14-18(20)8-4/h12-14,19H,5-11,15-16H2,1-4H3,(H2,22,23,24)