N-(4-methylpentyl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-(4-methylpentyl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-isohexyl-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-(4-methylpentyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-(4-methylpentyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-isohexyl-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S

Isomeric SMILES

CC(C)CCCNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S

InChI

InChI=1S/C20H29N3O2S/c1-15(2)9-8-13-21-18(24)12-4-3-7-14-23-19(25)16-10-5-6-11-17(16)22-20(23)26/h5-6,10-11,15H,3-4,7-9,12-14H2,1-2H3,(H,21,24)(H,22,26)