5-ethyl-5-methyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one

Systemtic Name: 5-ethyl-5-methyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one Openeye Name: 3-benzyl-5-ethyl-5-methyl-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-6H-benzo[h]quinazolin-4-one CAS Name: 5-ethyl-5-methyl-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one IUPAC Name: 3-benzyl-5-ethyl-5-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-6H-benzo[h]quinazolin-4-one Traditional Name: 3-benzyl-5-ethyl-2-[(2-keto-2-piperidino-ethyl)thio]-5-methyl-6H-benzo[h]quinazolin-4-one Formula: C29H33N3O2S MolecularWeight: 487.65622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC(=O)N4CCCCC4)CC5=CC=CC=C5)C

Isomeric SMILES

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC(=O)N4CCCCC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C29H33N3O2S/c1-3-29(2)18-22-14-8-9-15-23(22)26-25(29)27(34)32(19-21-12-6-4-7-13-21)28(30-26)35-20-24(33)31-16-10-5-11-17-31/h4,6-9,12-15H,3,5,10-11,16-20H2,1-2H3