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

Systemtic Name: 1-[2,4-bis(methylsulfanylmethyl)pyridin-3-yl]-3-[(1-phenylcyclohexyl)methyl]urea Openeye Name: 1-[2,4-bis(methylsulfanylmethyl)-3-pyridyl]-3-[(1-phenylcyclohexyl)methyl]urea CAS Name: 1-[2,4-bis[(methylthio)methyl]-3-pyridinyl]-3-[(1-phenylcyclohexyl)methyl]urea IUPAC Name: 1-[2,4-bis(methylsulfanylmethyl)pyridin-3-yl]-3-[(1-phenylcyclohexyl)methyl]urea Traditional Name: 1-[2,4-bis[(methylthio)methyl]-3-pyridyl]-3-[(1-phenylcyclohexyl)methyl]urea Formula: C23H31N3OS2 MolecularWeight: 429.64174

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(C(=NC=C1)CSC)NC(=O)NCC2(CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CSCC1=C(C(=NC=C1)CSC)NC(=O)NCC2(CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3OS2/c1-28-15-18-11-14-24-20(16-29-2)21(18)26-22(27)25-17-23(12-7-4-8-13-23)19-9-5-3-6-10-19/h3,5-6,9-11,14H,4,7-8,12-13,15-17H2,1-2H3,(H2,25,26,27)