N'-[6-azanylidene-9-(4-methylsulfanylphenyl)xanthen-3-yl]-N'-ethyl-N,N-dimethyl-propane-1,3-diamine

Systemtic Name: N'-[6-azanylidene-9-(4-methylsulfanylphenyl)xanthen-3-yl]-N'-ethyl-N,N-dimethyl-propane-1,3-diamine Openeye Name: N'-ethyl-N'-[6-imino-9-(4-methylsulfanylphenyl)xanthen-3-yl]-N,N-dimethyl-propane-1,3-diamine CAS Name: N'-ethyl-N'-[6-imino-9-[4-(methylthio)phenyl]-3-xanthenyl]-N,N-dimethylpropane-1,3-diamine IUPAC Name: N'-ethyl-N'-[6-imino-9-(4-methylsulfanylphenyl)xanthen-3-yl]-N,N-dimethylpropane-1,3-diamine Traditional Name: 3-(dimethylamino)propyl-ethyl-[6-imino-9-[4-(methylthio)phenyl]xanthen-3-yl]amine Formula: C27H31N3OS MolecularWeight: 445.61954

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCN(C)C)C1=CC2=C(C=C1)C(=C3C=CC(=N)C=C3O2)C4=CC=C(C=C4)SC

Isomeric SMILES

CCN(CCCN(C)C)C1=CC2=C(C=C1)C(=C3C=CC(=N)C=C3O2)C4=CC=C(C=C4)SC

InChI

InChI=1S/C27H31N3OS/c1-5-30(16-6-15-29(2)3)21-10-14-24-26(18-21)31-25-17-20(28)9-13-23(25)27(24)19-7-11-22(32-4)12-8-19/h7-14,17-18,28H,5-6,15-16H2,1-4H3