N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: 2-[3-(4-butylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide CAS Name: 2-[[3-(4-butylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(1,1-dioxo-3-thiolanyl)propanamide IUPAC Name: 2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide Traditional Name: 2-[[3-(4-butylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(1,1-diketothiolan-3-yl)propionamide Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4CCS(=O)(=O)C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4CCS(=O)(=O)C4

InChI

InChI=1S/C25H29N3O4S2/c1-3-4-7-18-10-12-20(13-11-18)28-24(30)21-8-5-6-9-22(21)27-25(28)33-17(2)23(29)26-19-14-15-34(31,32)16-19/h5-6,8-13,17,19H,3-4,7,14-16H2,1-2H3,(H,26,29)