2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one

Systemtic Name: 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-phenyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)C5(CCCC5)CC6=CC=CC=C63

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)C5(CCCC5)CC6=CC=CC=C63

InChI

InChI=1S/C29H31N3O2S/c33-24(31-17-9-2-10-18-31)20-35-28-30-26-23-14-6-5-11-21(23)19-29(15-7-8-16-29)25(26)27(34)32(28)22-12-3-1-4-13-22/h1,3-6,11-14H,2,7-10,15-20H2