1-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3-[(1-phenylcyclohexyl)methyl]urea

Systemtic Name: 1-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3-[(1-phenylcyclohexyl)methyl]urea Openeye Name: 1-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]-3-[(1-phenylcyclohexyl)methyl]urea CAS Name: 1-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-3-[(1-phenylcyclohexyl)methyl]urea IUPAC Name: 1-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3-[(1-phenylcyclohexyl)methyl]urea Traditional Name: 1-[6-methyl-2,4-bis(methylthio)-3-pyridyl]-3-[(1-phenylcyclohexyl)methyl]urea Formula: C22H29N3OS2 MolecularWeight: 415.61516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)SC)NC(=O)NCC2(CCCCC2)C3=CC=CC=C3)SC

Isomeric SMILES

CC1=NC(=C(C(=C1)SC)NC(=O)NCC2(CCCCC2)C3=CC=CC=C3)SC

InChI

InChI=1S/C22H29N3OS2/c1-16-14-18(27-2)19(20(24-16)28-3)25-21(26)23-15-22(12-8-5-9-13-22)17-10-6-4-7-11-17/h4,6-7,10-11,14H,5,8-9,12-13,15H2,1-3H3,(H2,23,25,26)