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

Systemtic Name: 2-(4-oxidanylidene-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N,N-diphenyl-propanamide Openeye Name: 2-(4-oxo-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N,N-diphenyl-propanamide CAS Name: 2-[(4-oxo-3-phenethyl-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl)thio]-N,N-diphenylpropanamide IUPAC Name: 2-(4-oxo-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N,N-diphenylpropanamide Traditional Name: 2-[(4-keto-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]-N,N-diphenyl-propionamide Formula: C40H39N3O2S MolecularWeight: 625.82156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC4=C(C(=O)N3CCC5=CC=CC=C5)C6(CCCCC6)CC7=CC=CC=C74

Isomeric SMILES

CC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC4=C(C(=O)N3CCC5=CC=CC=C5)C6(CCCCC6)CC7=CC=CC=C74

InChI

InChI=1S/C40H39N3O2S/c1-29(37(44)43(32-19-8-3-9-20-32)33-21-10-4-11-22-33)46-39-41-36-34-23-13-12-18-31(34)28-40(25-14-5-15-26-40)35(36)38(45)42(39)27-24-30-16-6-2-7-17-30/h2-4,6-13,16-23,29H,5,14-15,24-28H2,1H3