1-(2,2-diethoxyethylamino)-4-(4-nitrophenyl)-2,4-diazaspiro[4.5]dec-1-ene-3-thione

Systemtic Name: 1-(2,2-diethoxyethylamino)-4-(4-nitrophenyl)-2,4-diazaspiro[4.5]dec-1-ene-3-thione Openeye Name: 1-(2,2-diethoxyethylamino)-4-(4-nitrophenyl)-2,4-diazaspiro[4.5]dec-1-ene-3-thione CAS Name: 1-(2,2-diethoxyethylamino)-4-(4-nitrophenyl)-2,4-diazaspiro[4.5]dec-1-ene-3-thione IUPAC Name: 1-(2,2-diethoxyethylamino)-4-(4-nitrophenyl)-2,4-diazaspiro[4.5]dec-1-ene-3-thione Traditional Name: 1-(2,2-diethoxyethylamino)-4-(4-nitrophenyl)-2,4-diazaspiro[4.5]dec-1-ene-3-thione Formula: C20H28N4O4S MolecularWeight: 420.52572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CNC1=NC(=S)N(C12CCCCC2)C3=CC=C(C=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC(CNC1=NC(=S)N(C12CCCCC2)C3=CC=C(C=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C20H28N4O4S/c1-3-27-17(28-4-2)14-21-18-20(12-6-5-7-13-20)23(19(29)22-18)15-8-10-16(11-9-15)24(25)26/h8-11,17H,3-7,12-14H2,1-2H3,(H,21,22,29)