5-(4-tert-butylphenyl)sulfanyl-3,3-diethoxy-isoindol-1-amine

Systemtic Name: 5-(4-tert-butylphenyl)sulfanyl-3,3-diethoxy-isoindol-1-amine Openeye Name: 5-(4-tert-butylphenyl)sulfanyl-3,3-diethoxy-isoindol-1-amine CAS Name: 5-[(4-tert-butylphenyl)thio]-3,3-diethoxy-1-isoindolamine IUPAC Name: 5-(4-tert-butylphenyl)sulfanyl-3,3-diethoxyisoindol-1-amine Traditional Name: [5-[(4-tert-butylphenyl)thio]-3,3-diethoxy-isoindol-1-yl]amine Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2=C(C=CC(=C2)SC3=CC=C(C=C3)C(C)(C)C)C(=N1)N)OCC

Isomeric SMILES

CCOC1(C2=C(C=CC(=C2)SC3=CC=C(C=C3)C(C)(C)C)C(=N1)N)OCC

InChI

InChI=1S/C22H28N2O2S/c1-6-25-22(26-7-2)19-14-17(12-13-18(19)20(23)24-22)27-16-10-8-15(9-11-16)21(3,4)5/h8-14H,6-7H2,1-5H3,(H2,23,24)