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

Systemtic Name: N-cycloheptyl-4-oxidanylidene-3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-cycloheptyl-4-oxo-3-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-cycloheptyl-4-oxo-3-[[(2S)-2-oxolanyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-cycloheptyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-cycloheptyl-4-keto-3-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4CCCO4

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C[C@@H]4CCCO4

InChI

InChI=1S/C21H27N3O3S/c25-19(22-15-6-3-1-2-4-7-15)14-9-10-17-18(12-14)23-21(28)24(20(17)26)13-16-8-5-11-27-16/h9-10,12,15-16H,1-8,11,13H2,(H,22,25)(H,23,28)/t16-/m0/s1