6-(2-aminophenyl)sulfanyl-3-azanylidene-7-(2-methoxyethoxy)-4-(3-methylbutoxy)-5-phenylsulfanyl-isoindol-1-amine

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-7-(2-methoxyethoxy)-4-(3-methylbutoxy)-5-phenylsulfanyl-isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-3-imino-4-isopentyloxy-7-(2-methoxyethoxy)-5-phenylsulfanyl-isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-3-imino-7-(2-methoxyethoxy)-4-(3-methylbutoxy)-5-(phenylthio)-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-3-imino-7-(2-methoxyethoxy)-4-(3-methylbutoxy)-5-phenylsulfanylisoindol-1-amine Traditional Name: [2-[[3-amino-1-imino-7-isoamoxy-4-(2-methoxyethoxy)-6-(phenylthio)isoindol-5-yl]thio]phenyl]amine Formula: C28H32N4O3S2 MolecularWeight: 536.70868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C(=C(C2=C1C(=N)N=C2N)OCCOC)SC3=CC=CC=C3N)SC4=CC=CC=C4

Isomeric SMILES

CC(C)CCOC1=C(C(=C(C2=C1C(=N)N=C2N)OCCOC)SC3=CC=CC=C3N)SC4=CC=CC=C4

InChI

InChI=1S/C28H32N4O3S2/c1-17(2)13-14-34-23-21-22(28(31)32-27(21)30)24(35-16-15-33-3)26(37-20-12-8-7-11-19(20)29)25(23)36-18-9-5-4-6-10-18/h4-12,17H,13-16,29H2,1-3H3,(H3,30,31,32)