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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-(4-butoxyphenyl)sulfanyl-4,7-dipropoxy-isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-(4-butoxyphenyl)sulfanyl-3-imino-4,7-dipropoxy-isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-[(4-butoxyphenyl)thio]-3-imino-4,7-dipropoxy-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-(4-butoxyphenyl)sulfanyl-3-imino-4,7-dipropoxyisoindol-1-amine Traditional Name: [2-[[3-amino-6-[(4-butoxyphenyl)thio]-1-imino-4,7-dipropoxy-isoindol-5-yl]thio]phenyl]amine Formula: C30H36N4O3S2 MolecularWeight: 564.76184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)SC2=C(C3=C(C(=C2SC4=CC=CC=C4N)OCCC)C(=NC3=N)N)OCCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)SC2=C(C3=C(C(=C2SC4=CC=CC=C4N)OCCC)C(=NC3=N)N)OCCC

InChI

InChI=1S/C30H36N4O3S2/c1-4-7-18-35-19-12-14-20(15-13-19)38-27-25(36-16-5-2)23-24(30(33)34-29(23)32)26(37-17-6-3)28(27)39-22-11-9-8-10-21(22)31/h8-15H,4-7,16-18,31H2,1-3H3,(H3,32,33,34)