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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-chloranyl-7-(2-methoxyethoxy)-4-(3-methylbutoxy)isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-chloro-3-imino-4-isopentyloxy-7-(2-methoxyethoxy)isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-chloro-3-imino-7-(2-methoxyethoxy)-4-(3-methylbutoxy)-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-chloro-3-imino-7-(2-methoxyethoxy)-4-(3-methylbutoxy)isoindol-1-amine Traditional Name: [2-[[3-amino-6-chloro-1-imino-7-isoamoxy-4-(2-methoxyethoxy)isoindol-5-yl]thio]phenyl]amine Formula: C22H27ClN4O3S MolecularWeight: 462.99278

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O3S/c1-12(2)8-9-29-18-15-16(22(26)27-21(15)25)19(30-11-10-28-3)20(17(18)23)31-14-7-5-4-6-13(14)24/h4-7,12H,8-11,24H2,1-3H3,(H3,25,26,27)