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

Systemtic Name: N-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]carbamoyl]-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide CAS Name: 2-[(4-anilino-2-quinazolinyl)thio]-N-[[[(3S)-1,1-dioxo-3-thiolanyl]amino]-oxomethyl]acetamide IUPAC Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide Traditional Name: 2-[(4-anilinoquinazolin-2-yl)thio]-N-[[(3S)-1,1-diketothiolan-3-yl]carbamoyl]acetamide Formula: C21H21N5O4S2 MolecularWeight: 471.55254

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=O)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O4S2/c27-18(25-20(28)23-15-10-11-32(29,30)13-15)12-31-21-24-17-9-5-4-8-16(17)19(26-21)22-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,22,24,26)(H2,23,25,27,28)/t15-/m0/s1