N4-[(2S)-octan-2-yl]-N1-phenyl-2-prop-2-enylsulfanyl-benzene-1,4-diamine

Systemtic Name: N4-[(2S)-octan-2-yl]-N1-phenyl-2-prop-2-enylsulfanyl-benzene-1,4-diamine Openeye Name: 2-allylsulfanyl-N4-[(1S)-1-methylheptyl]-N1-phenyl-benzene-1,4-diamine CAS Name: N4-[(2S)-octan-2-yl]-N1-phenyl-2-(prop-2-enylthio)benzene-1,4-diamine IUPAC Name: 4-N-[(2S)-octan-2-yl]-1-N-phenyl-2-prop-2-enylsulfanylbenzene-1,4-diamine Traditional Name: [3-(allylthio)-4-anilino-phenyl]-[(1S)-1-methylheptyl]amine Formula: C23H32N2S MolecularWeight: 368.57858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC1=CC(=C(C=C1)NC2=CC=CC=C2)SCC=C

Isomeric SMILES

CCCCCC[C@H](C)NC1=CC(=C(C=C1)NC2=CC=CC=C2)SCC=C

InChI

InChI=1S/C23H32N2S/c1-4-6-7-9-12-19(3)24-21-15-16-22(23(18-21)26-17-5-2)25-20-13-10-8-11-14-20/h5,8,10-11,13-16,18-19,24-25H,2,4,6-7,9,12,17H2,1,3H3/t19-/m0/s1