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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-(4-methoxyphenyl)sulfanyl-4,7-bis(3-methylbutoxy)isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-3-imino-4,7-diisopentyloxy-5-(4-methoxyphenyl)sulfanyl-isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-3-imino-5-[(4-methoxyphenyl)thio]-4,7-bis(3-methylbutoxy)-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-3-imino-5-(4-methoxyphenyl)sulfanyl-4,7-bis(3-methylbutoxy)isoindol-1-amine Traditional Name: [2-[[3-amino-1-imino-4,7-diisoamoxy-6-[(4-methoxyphenyl)thio]isoindol-5-yl]thio]phenyl]amine Formula: C31H38N4O3S2 MolecularWeight: 578.78842

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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=C(C=C3)OC)SC4=CC=CC=C4N

Isomeric SMILES

CC(C)CCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCC(C)C)SC3=CC=C(C=C3)OC)SC4=CC=CC=C4N

InChI

InChI=1S/C31H38N4O3S2/c1-18(2)14-16-37-26-24-25(31(34)35-30(24)33)27(38-17-15-19(3)4)29(40-23-9-7-6-8-22(23)32)28(26)39-21-12-10-20(36-5)11-13-21/h6-13,18-19H,14-17,32H2,1-5H3,(H3,33,34,35)