N-butyl-4-oxidanylidene-3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-butyl-4-oxidanylidene-3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-butyl-4-oxo-3-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-butyl-4-oxo-3-[[(2S)-2-oxolanyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-butyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-butyl-4-keto-3-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H23N3O3S MolecularWeight: 361.45852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3CCCO3

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C[C@@H]3CCCO3

InChI

InChI=1S/C18H23N3O3S/c1-2-3-8-19-16(22)12-6-7-14-15(10-12)20-18(25)21(17(14)23)11-13-5-4-9-24-13/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,19,22)(H,20,25)/t13-/m0/s1