4-[3-[(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanyl]propoxy]benzoate

Systemtic Name: 4-[3-[(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)thio]propoxy]benzoate IUPAC Name: 4-[3-[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(4-keto-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)thio]propoxy]benzoate Formula: C18H19N2O4S- MolecularWeight: 359.41946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N=C(N2)SCCCOC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=O)N=C(N2)SCCCOC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H20N2O4S/c21-16-14-4-1-2-5-15(14)19-18(20-16)25-11-3-10-24-13-8-6-12(7-9-13)17(22)23/h6-9H,1-5,10-11H2,(H,22,23)(H,19,20,21)/p-1