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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NC2=CC=CC=C2C(=O)N1CCC3=CCCCC3

Isomeric SMILES

CC(C(=O)NC(C)(C)C)SC1=NC2=CC=CC=C2C(=O)N1CCC3=CCCCC3

InChI

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