3-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylethyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]ethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]ethyl]-1,3-benzoxazol-2-one Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H21N3O3S/c1-2-3-12-24-19(25)15-8-4-5-9-16(15)22-20(24)28-14-13-23-17-10-6-7-11-18(17)27-21(23)26/h4-11H,2-3,12-14H2,1H3