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

Systemtic Name: 3-[2,4-bis(methylsulfanylmethyl)pyridin-3-yl]-1-cycloheptyl-1-[(4-phenylphenyl)methyl]urea Openeye Name: 3-[2,4-bis(methylsulfanylmethyl)-3-pyridyl]-1-cycloheptyl-1-[(4-phenylphenyl)methyl]urea CAS Name: 3-[2,4-bis[(methylthio)methyl]-3-pyridinyl]-1-cycloheptyl-1-[(4-phenylphenyl)methyl]urea IUPAC Name: 3-[2,4-bis(methylsulfanylmethyl)pyridin-3-yl]-1-cycloheptyl-1-[(4-phenylphenyl)methyl]urea Traditional Name: 3-[2,4-bis[(methylthio)methyl]-3-pyridyl]-1-cycloheptyl-1-(4-phenylbenzyl)urea Formula: C30H37N3OS2 MolecularWeight: 519.76428

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(C(=NC=C1)CSC)NC(=O)N(CC2=CC=C(C=C2)C3=CC=CC=C3)C4CCCCCC4

Isomeric SMILES

CSCC1=C(C(=NC=C1)CSC)NC(=O)N(CC2=CC=C(C=C2)C3=CC=CC=C3)C4CCCCCC4

InChI

InChI=1S/C30H37N3OS2/c1-35-21-26-18-19-31-28(22-36-2)29(26)32-30(34)33(27-12-8-3-4-9-13-27)20-23-14-16-25(17-15-23)24-10-6-5-7-11-24/h5-7,10-11,14-19,27H,3-4,8-9,12-13,20-22H2,1-2H3,(H,32,34)