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

Systemtic Name: methyl 4-[[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]methyl]-N-phenyl-piperidine-1-carboximidothioate Openeye Name: methyl 4-[[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]methyl]-N-phenyl-piperidine-1-carboximidothioate CAS Name: 4-[[1,3-dioxo-6-(1-piperidinyl)-2-benzo[de]isoquinolinyl]methyl]-N-phenyl-1-piperidinecarboximidothioic acid methyl ester IUPAC Name: methyl 4-[(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)methyl]-N-phenylpiperidine-1-carboximidothioate Traditional Name: 4-[(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)methyl]-N-phenyl-piperidine-1-carboximidothioic acid methyl ester Formula: C31H34N4O2S MolecularWeight: 526.69226

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=CC=C1)N2CCC(CC2)CN3C(=O)C4=C5C(=C(C=C4)N6CCCCC6)C=CC=C5C3=O

Isomeric SMILES

CSC(=NC1=CC=CC=C1)N2CCC(CC2)CN3C(=O)C4=C5C(=C(C=C4)N6CCCCC6)C=CC=C5C3=O

InChI

InChI=1S/C31H34N4O2S/c1-38-31(32-23-9-4-2-5-10-23)34-19-15-22(16-20-34)21-35-29(36)25-12-8-11-24-27(33-17-6-3-7-18-33)14-13-26(28(24)25)30(35)37/h2,4-5,8-14,22H,3,6-7,15-21H2,1H3