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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]acetamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCS(=O)(=O)C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N[C@H]4CCS(=O)(=O)C4

InChI

InChI=1S/C21H21N3O4S2/c1-14-6-8-16(9-7-14)24-20(26)17-4-2-3-5-18(17)23-21(24)29-12-19(25)22-15-10-11-30(27,28)13-15/h2-9,15H,10-13H2,1H3,(H,22,25)/t15-/m0/s1