N2-(cyclohexylmethyl)-N1-(3,3-diphenylpropyl)-4-methylsulfanyl-butane-1,2-diamine

Systemtic Name: N2-(cyclohexylmethyl)-N1-(3,3-diphenylpropyl)-4-methylsulfanyl-butane-1,2-diamine Openeye Name: N2-(cyclohexylmethyl)-N1-(3,3-diphenylpropyl)-4-methylsulfanyl-butane-1,2-diamine CAS Name: N2-(cyclohexylmethyl)-N1-(3,3-diphenylpropyl)-4-(methylthio)butane-1,2-diamine IUPAC Name: 2-N-(cyclohexylmethyl)-1-N-(3,3-diphenylpropyl)-4-methylsulfanylbutane-1,2-diamine Traditional Name: cyclohexylmethyl-[1-[(3,3-diphenylpropylamino)methyl]-3-(methylthio)propyl]amine Formula: C27H40N2S MolecularWeight: 424.6849

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CNCCC(C1=CC=CC=C1)C2=CC=CC=C2)NCC3CCCCC3

Isomeric SMILES

CSCCC(CNCCC(C1=CC=CC=C1)C2=CC=CC=C2)NCC3CCCCC3

InChI

InChI=1S/C27H40N2S/c1-30-20-18-26(29-21-23-11-5-2-6-12-23)22-28-19-17-27(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h3-4,7-10,13-16,23,26-29H,2,5-6,11-12,17-22H2,1H3