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

Systemtic Name: methyl 4-[2-butyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-6-yl]-N-phenyl-piperazine-1-carboximidothioate Openeye Name: methyl 4-(2-butyl-1,3-dioxo-benzo[de]isoquinolin-6-yl)-N-phenyl-piperazine-1-carboximidothioate CAS Name: 4-(2-butyl-1,3-dioxo-6-benzo[de]isoquinolinyl)-N-phenyl-1-piperazinecarboximidothioic acid methyl ester IUPAC Name: methyl 4-(2-butyl-1,3-dioxobenzo[de]isoquinolin-6-yl)-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-(2-butyl-1,3-diketo-benzo[de]isoquinolin-6-yl)-N-phenyl-piperazine-1-carboximidothioic acid methyl ester Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C3C(=C(C=C2)N4CCN(CC4)C(=NC5=CC=CC=C5)SC)C=CC=C3C1=O

Isomeric SMILES

CCCCN1C(=O)C2=C3C(=C(C=C2)N4CCN(CC4)C(=NC5=CC=CC=C5)SC)C=CC=C3C1=O

InChI

InChI=1S/C28H30N4O2S/c1-3-4-15-32-26(33)22-12-8-11-21-24(14-13-23(25(21)22)27(32)34)30-16-18-31(19-17-30)28(35-2)29-20-9-6-5-7-10-20/h5-14H,3-4,15-19H2,1-2H3