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

Systemtic Name: 1-[6-methyl-4,6-bis(methylsulfanyl)-1H-pyridin-3-yl]-3-[(1-phenylcyclopentyl)methyl]urea Openeye Name: 1-[6-methyl-4,6-bis(methylsulfanyl)-1H-pyridin-3-yl]-3-[(1-phenylcyclopentyl)methyl]urea CAS Name: 1-[6-methyl-4,6-bis(methylthio)-1H-pyridin-3-yl]-3-[(1-phenylcyclopentyl)methyl]urea IUPAC Name: 1-[6-methyl-4,6-bis(methylsulfanyl)-1H-pyridin-3-yl]-3-[(1-phenylcyclopentyl)methyl]urea Traditional Name: 1-[6-methyl-4,6-bis(methylthio)-1H-pyridin-3-yl]-3-[(1-phenylcyclopentyl)methyl]urea Formula: C21H29N3OS2 MolecularWeight: 403.60446

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C(=CN1)NC(=O)NCC2(CCCC2)C3=CC=CC=C3)SC)SC

Isomeric SMILES

CC1(C=C(C(=CN1)NC(=O)NCC2(CCCC2)C3=CC=CC=C3)SC)SC

InChI

InChI=1S/C21H29N3OS2/c1-20(27-3)13-18(26-2)17(14-23-20)24-19(25)22-15-21(11-7-8-12-21)16-9-5-4-6-10-16/h4-6,9-10,13-14,23H,7-8,11-12,15H2,1-3H3,(H2,22,24,25)