[1-(5-oxidanylidene-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-4-yl)naphthalen-2-yl] benzoate

Systemtic Name: [1-(5-oxidanylidene-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-4-yl)naphthalen-2-yl] benzoate Openeye Name: [1-(5-oxo-2-thioxo-1,3,4,6,7,8-hexahydroquinazolin-4-yl)-2-naphthyl] benzoate CAS Name: benzoic acid [1-(5-oxo-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-4-yl)-2-naphthalenyl] ester IUPAC Name: [1-(5-oxo-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-4-yl)naphthalen-2-yl] benzoate Traditional Name: benzoic acid [1-(5-keto-2-thioxo-1,3,4,6,7,8-hexahydroquinazolin-4-yl)-2-naphthyl] ester Formula: C25H20N2O3S MolecularWeight: 428.5029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(NC(=S)N2)C3=C(C=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C(NC(=S)N2)C3=C(C=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5)C(=O)C1

InChI

InChI=1S/C25H20N2O3S/c28-19-12-6-11-18-22(19)23(27-25(31)26-18)21-17-10-5-4-7-15(17)13-14-20(21)30-24(29)16-8-2-1-3-9-16/h1-5,7-10,13-14,23H,6,11-12H2,(H2,26,27,31)