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

Systemtic Name: N-[(3S)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]acetamide CAS Name: 2-[(4-anilino-2-quinazolinyl)thio]-N-[(3S)-3-methyl-1,1-dioxo-3-thiolanyl]acetamide IUPAC Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide Traditional Name: 2-[(4-anilinoquinazolin-2-yl)thio]-N-[(3S)-1,1-diketo-3-methyl-thiolan-3-yl]acetamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

Isomeric SMILES

C[C@@]1(CCS(=O)(=O)C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S2/c1-21(11-12-30(27,28)14-21)25-18(26)13-29-20-23-17-10-6-5-9-16(17)19(24-20)22-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,25,26)(H,22,23,24)/t21-/m0/s1