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

Systemtic Name: methyl 4-[2-butyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-6-yl]-N-methyl-piperazine-1-carboximidothioate Openeye Name: methyl 4-(2-butyl-1,3-dioxo-benzo[de]isoquinolin-6-yl)-N-methyl-piperazine-1-carboximidothioate CAS Name: 4-(2-butyl-1,3-dioxo-6-benzo[de]isoquinolinyl)-N-methyl-1-piperazinecarboximidothioic acid methyl ester IUPAC Name: methyl 4-(2-butyl-1,3-dioxobenzo[de]isoquinolin-6-yl)-N-methylpiperazine-1-carboximidothioate Traditional Name: 4-(2-butyl-1,3-diketo-benzo[de]isoquinolin-6-yl)-N-methyl-piperazine-1-carboximidothioic acid methyl ester Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-4-5-11-27-21(28)17-8-6-7-16-19(10-9-18(20(16)17)22(27)29)25-12-14-26(15-13-25)23(24-2)30-3/h6-10H,4-5,11-15H2,1-3H3