methyl 4-[[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]methyl]-N-methyl-piperidine-1-carboximidothioate

Systemtic Name: methyl 4-[[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]methyl]-N-methyl-piperidine-1-carboximidothioate Openeye Name: methyl 4-[[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]methyl]-N-methyl-piperidine-1-carboximidothioate CAS Name: 4-[[1,3-dioxo-6-(1-piperidinyl)-2-benzo[de]isoquinolinyl]methyl]-N-methyl-1-piperidinecarboximidothioic acid methyl ester IUPAC Name: methyl 4-[(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)methyl]-N-methylpiperidine-1-carboximidothioate Traditional Name: 4-[(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)methyl]-N-methyl-piperidine-1-carboximidothioic acid methyl ester Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N1CCC(CC1)CN2C(=O)C3=C4C(=C(C=C3)N5CCCCC5)C=CC=C4C2=O)SC

Isomeric SMILES

CN=C(N1CCC(CC1)CN2C(=O)C3=C4C(=C(C=C3)N5CCCCC5)C=CC=C4C2=O)SC

InChI

InChI=1S/C26H32N4O2S/c1-27-26(33-2)29-15-11-18(12-16-29)17-30-24(31)20-8-6-7-19-22(28-13-4-3-5-14-28)10-9-21(23(19)20)25(30)32/h6-10,18H,3-5,11-17H2,1-2H3