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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-4,7-dibutoxy-5-chloranyl-isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-4,7-dibutoxy-5-chloro-3-imino-isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-4,7-dibutoxy-5-chloro-3-imino-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-4,7-dibutoxy-5-chloro-3-iminoisoindol-1-amine Traditional Name: [2-[(3-amino-4,7-dibutoxy-6-chloro-1-imino-isoindol-5-yl)thio]phenyl]amine Formula: C22H27ClN4O2S MolecularWeight: 446.99338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCC)Cl)SC3=CC=CC=C3N

Isomeric SMILES

CCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCC)Cl)SC3=CC=CC=C3N

InChI

InChI=1S/C22H27ClN4O2S/c1-3-5-11-28-18-15-16(22(26)27-21(15)25)19(29-12-6-4-2)20(17(18)23)30-14-10-8-7-9-13(14)24/h7-10H,3-6,11-12,24H2,1-2H3,(H3,25,26,27)