5-(2-aminophenyl)sulfanyl-3-azanylidene-4,7-bis(3-methylbutoxy)-6-propan-2-ylsulfanyl-isoindol-1-amine

Systemtic Name: 5-(2-aminophenyl)sulfanyl-3-azanylidene-4,7-bis(3-methylbutoxy)-6-propan-2-ylsulfanyl-isoindol-1-amine Openeye Name: 5-(2-aminophenyl)sulfanyl-3-imino-4,7-diisopentyloxy-6-isopropylsulfanyl-isoindol-1-amine CAS Name: 5-[(2-aminophenyl)thio]-3-imino-4,7-bis(3-methylbutoxy)-6-(propan-2-ylthio)-1-isoindolamine IUPAC Name: 5-(2-aminophenyl)sulfanyl-3-imino-4,7-bis(3-methylbutoxy)-6-propan-2-ylsulfanylisoindol-1-amine Traditional Name: [2-[[1-amino-3-imino-4,7-diisoamoxy-6-(isopropylthio)isoindol-5-yl]thio]phenyl]amine Formula: C27H38N4O2S2 MolecularWeight: 514.74622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCC(C)C)SC3=CC=CC=C3N)SC(C)C

Isomeric SMILES

CC(C)CCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCC(C)C)SC3=CC=CC=C3N)SC(C)C

InChI

InChI=1S/C27H38N4O2S2/c1-15(2)11-13-32-22-20-21(27(30)31-26(20)29)23(33-14-12-16(3)4)25(24(22)34-17(5)6)35-19-10-8-7-9-18(19)28/h7-10,15-17H,11-14,28H2,1-6H3,(H3,29,30,31)