6-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]hexanoic acid

Systemtic Name: 6-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]hexanoic acid Openeye Name: 6-[2-(3-nitrophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]hexanoic acid CAS Name: 6-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]hexanoic acid IUPAC Name: 6-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]hexanoic acid Traditional Name: 6-[2-(3-nitrophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]hexanoic acid Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=S)N=C(N2CCCCCC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=S)N=C(N2CCCCCC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c24-18(25)11-2-1-5-12-22-17-10-4-3-9-16(17)20(28)21-19(22)14-7-6-8-15(13-14)23(26)27/h6-8,13H,1-5,9-12H2,(H,24,25)