3-[2,4-bis(methylsulfanyl)pyridin-3-yl]-1-(4-cyclohexylcyclohexyl)-1-(phenylmethyl)urea

Systemtic Name: 3-[2,4-bis(methylsulfanyl)pyridin-3-yl]-1-(4-cyclohexylcyclohexyl)-1-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2,4-bis(methylsulfanyl)-3-pyridyl]-1-(4-cyclohexylcyclohexyl)urea CAS Name: 3-[2,4-bis(methylthio)-3-pyridinyl]-1-(4-cyclohexylcyclohexyl)-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2,4-bis(methylsulfanyl)pyridin-3-yl]-1-(4-cyclohexylcyclohexyl)urea Traditional Name: 1-benzyl-3-[2,4-bis(methylthio)-3-pyridyl]-1-(4-cyclohexylcyclohexyl)urea Formula: C27H37N3OS2 MolecularWeight: 483.73218

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NC=C1)SC)NC(=O)N(CC2=CC=CC=C2)C3CCC(CC3)C4CCCCC4

Isomeric SMILES

CSC1=C(C(=NC=C1)SC)NC(=O)N(CC2=CC=CC=C2)C3CCC(CC3)C4CCCCC4

InChI

InChI=1S/C27H37N3OS2/c1-32-24-17-18-28-26(33-2)25(24)29-27(31)30(19-20-9-5-3-6-10-20)23-15-13-22(14-16-23)21-11-7-4-8-12-21/h3,5-6,9-10,17-18,21-23H,4,7-8,11-16,19H2,1-2H3,(H,29,31)