1-(2-methyloctan-2-ylsulfanyl)-3-[(4-phenylazanylphenyl)-propan-2-yl-amino]propan-2-ol

Systemtic Name: 1-(2-methyloctan-2-ylsulfanyl)-3-[(4-phenylazanylphenyl)-propan-2-yl-amino]propan-2-ol Openeye Name: 1-(4-anilino-N-isopropyl-anilino)-3-(1,1-dimethylheptylsulfanyl)propan-2-ol CAS Name: 1-(4-anilino-N-propan-2-ylanilino)-3-(2-methyloctan-2-ylthio)-2-propanol IUPAC Name: 1-(4-anilino-N-propan-2-ylanilino)-3-(2-methyloctan-2-ylsulfanyl)propan-2-ol Traditional Name: 1-(4-anilino-N-isopropyl-anilino)-3-(1,1-dimethylheptylthio)propan-2-ol Formula: C27H42N2OS MolecularWeight: 442.70018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)SCC(CN(C1=CC=C(C=C1)NC2=CC=CC=C2)C(C)C)O

Isomeric SMILES

CCCCCCC(C)(C)SCC(CN(C1=CC=C(C=C1)NC2=CC=CC=C2)C(C)C)O

InChI

InChI=1S/C27H42N2OS/c1-6-7-8-12-19-27(4,5)31-21-26(30)20-29(22(2)3)25-17-15-24(16-18-25)28-23-13-10-9-11-14-23/h9-11,13-18,22,26,28,30H,6-8,12,19-21H2,1-5H3