3-[3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-oxo-propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-3-keto-propyl]-2-thioxo-1H-quinazolin-4-one Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C24H25N3O4S/c28-22(10-12-27-23(29)17-5-1-2-6-18(17)25-24(27)32)26-11-3-7-19(26)16-8-9-20-21(15-16)31-14-4-13-30-20/h1-2,5-6,8-9,15,19H,3-4,7,10-14H2,(H,25,32)/t19-/m0/s1