6-(2-aminophenyl)sulfanyl-3-azanylidene-5-chloranyl-4,7-di(pentan-2-yloxy)isoindol-1-amine

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-chloranyl-4,7-di(pentan-2-yloxy)isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-chloro-3-imino-4,7-bis(1-methylbutoxy)isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-chloro-3-imino-4,7-di(pentan-2-yloxy)-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-chloro-3-imino-4,7-di(pentan-2-yloxy)isoindol-1-amine Traditional Name: [2-[[3-amino-6-chloro-1-imino-4,7-bis(1-methylbutoxy)isoindol-5-yl]thio]phenyl]amine Formula: C24H31ClN4O2S MolecularWeight: 475.04654

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC1=C(C(=C(C2=C1C(=NC2=N)N)OC(C)CCC)Cl)SC3=CC=CC=C3N

Isomeric SMILES

CCCC(C)OC1=C(C(=C(C2=C1C(=NC2=N)N)OC(C)CCC)Cl)SC3=CC=CC=C3N

InChI

InChI=1S/C24H31ClN4O2S/c1-5-9-13(3)30-20-17-18(24(28)29-23(17)27)21(31-14(4)10-6-2)22(19(20)25)32-16-12-8-7-11-15(16)26/h7-8,11-14H,5-6,9-10,26H2,1-4H3,(H3,27,28,29)