1-[2,6-di(propan-2-yl)phenyl]-3-(4-octylphenyl)thiourea

Systemtic Name: 1-[2,6-di(propan-2-yl)phenyl]-3-(4-octylphenyl)thiourea Openeye Name: 1-(2,6-diisopropylphenyl)-3-(4-octylphenyl)thiourea CAS Name: 1-[2,6-di(propan-2-yl)phenyl]-3-(4-octylphenyl)thiourea IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-3-(4-octylphenyl)thiourea Traditional Name: 1-(2,6-diisopropylphenyl)-3-(4-octylphenyl)thiourea Formula: C27H40N2S MolecularWeight: 424.6849

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)NC(=S)NC2=C(C=CC=C2C(C)C)C(C)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)NC(=S)NC2=C(C=CC=C2C(C)C)C(C)C

InChI

InChI=1S/C27H40N2S/c1-6-7-8-9-10-11-13-22-16-18-23(19-17-22)28-27(30)29-26-24(20(2)3)14-12-15-25(26)21(4)5/h12,14-21H,6-11,13H2,1-5H3,(H2,28,29,30)