N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-cyclopentyl-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-cyclopentyl-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide CAS Name: 2-[(4-anilino-2-quinazolinyl)thio]-N-cyclopentyl-N-[(3S)-1,1-dioxo-3-thiolanyl]acetamide IUPAC Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide Traditional Name: 2-[(4-anilinoquinazolin-2-yl)thio]-N-cyclopentyl-N-[(3S)-1,1-diketothiolan-3-yl]acetamide Formula: C25H28N4O3S2 MolecularWeight: 496.64482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)N([C@H]2CCS(=O)(=O)C2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5=CC=CC=C5

InChI

InChI=1S/C25H28N4O3S2/c30-23(29(19-10-4-5-11-19)20-14-15-34(31,32)17-20)16-33-25-27-22-13-7-6-12-21(22)24(28-25)26-18-8-2-1-3-9-18/h1-3,6-9,12-13,19-20H,4-5,10-11,14-17H2,(H,26,27,28)/t20-/m0/s1