2-(4-oxidanylidene-3-prop-2-enyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-phenyl-propanamide

Systemtic Name: 2-(4-oxidanylidene-3-prop-2-enyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-phenyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-phenyl-propanamide CAS Name: 2-[(4-oxo-3-prop-2-enyl-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl)thio]-N-phenylpropanamide IUPAC Name: 2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-phenylpropanamide Traditional Name: 2-[(3-allyl-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]-N-phenyl-propionamide Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NC3=C(C(=O)N2CC=C)C4(CCCCC4)CC5=CC=CC=C53

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SC2=NC3=C(C(=O)N2CC=C)C4(CCCCC4)CC5=CC=CC=C53

InChI

InChI=1S/C29H31N3O2S/c1-3-18-32-27(34)24-25(23-15-9-8-12-21(23)19-29(24)16-10-5-11-17-29)31-28(32)35-20(2)26(33)30-22-13-6-4-7-14-22/h3-4,6-9,12-15,20H,1,5,10-11,16-19H2,2H3,(H,30,33)