N4-(4-methylpentan-2-yl)-N1-[2-(octylsulfanylmethyl)phenyl]benzene-1,4-diamine

Systemtic Name: N4-(4-methylpentan-2-yl)-N1-[2-(octylsulfanylmethyl)phenyl]benzene-1,4-diamine Openeye Name: N4-(1,3-dimethylbutyl)-N1-[2-(octylsulfanylmethyl)phenyl]benzene-1,4-diamine CAS Name: N4-(4-methylpentan-2-yl)-N1-[2-[(octylthio)methyl]phenyl]benzene-1,4-diamine IUPAC Name: 4-N-(4-methylpentan-2-yl)-1-N-[2-(octylsulfanylmethyl)phenyl]benzene-1,4-diamine Traditional Name: 1,3-dimethylbutyl-[4-[2-[(octylthio)methyl]anilino]phenyl]amine Formula: C27H42N2S MolecularWeight: 426.70078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCC1=CC=CC=C1NC2=CC=C(C=C2)NC(C)CC(C)C

Isomeric SMILES

CCCCCCCCSCC1=CC=CC=C1NC2=CC=C(C=C2)NC(C)CC(C)C

InChI

InChI=1S/C27H42N2S/c1-5-6-7-8-9-12-19-30-21-24-13-10-11-14-27(24)29-26-17-15-25(16-18-26)28-23(4)20-22(2)3/h10-11,13-18,22-23,28-29H,5-9,12,19-21H2,1-4H3