6-(2-phenyl-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl)hexanoate

Systemtic Name: 6-(2-phenyl-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl)hexanoate Openeye Name: 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl)hexanoate CAS Name: 6-(2-phenyl-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl)hexanoate IUPAC Name: 6-(2-phenyl-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl)hexanoate Traditional Name: 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl)hexanoate Formula: C20H23N2O2S- MolecularWeight: 355.47382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2S/c23-18(24)13-5-2-8-14-22-17-12-7-6-11-16(17)20(25)21-19(22)15-9-3-1-4-10-15/h1,3-4,9-10H,2,5-8,11-14H2,(H,23,24)/p-1