2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-[2-(1-cyclohexenyl)ethyl]propanamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-[2-(cyclohexen-1-yl)ethyl]propionamide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCCC3=CCCCC3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCCC3=CCCCC3

InChI

InChI=1S/C23H31N3O2S/c1-3-4-16-26-22(28)19-12-8-9-13-20(19)25-23(26)29-17(2)21(27)24-15-14-18-10-6-5-7-11-18/h8-10,12-13,17H,3-7,11,14-16H2,1-2H3,(H,24,27)