2-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 2-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-[2-oxo-2-(2-thienyl)ethyl]sulfanyl-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-[(2-oxo-2-thiophen-2-ylethyl)thio]-3-phenethyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-[[2-keto-2-(2-thienyl)ethyl]thio]-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C31H30N2O2S2 MolecularWeight: 526.7121

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)C5=CC=CS5)CCC6=CC=CC=C6

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)C5=CC=CS5)CCC6=CC=CC=C6

InChI

InChI=1S/C31H30N2O2S2/c34-25(26-14-9-19-36-26)21-37-30-32-28-24-13-6-5-12-23(24)20-31(16-7-2-8-17-31)27(28)29(35)33(30)18-15-22-10-3-1-4-11-22/h1,3-6,9-14,19H,2,7-8,15-18,20-21H2