4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(4-methylpiperazin-1-yl)carbothioyl-butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(4-methylpiperazin-1-yl)carbothioyl-butanamide Openeye Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butyramide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

CN1CCN(CC1)C(=S)NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C22H24N4O3S/c1-24-11-13-25(14-12-24)22(30)23-18(27)9-4-10-26-20(28)16-7-2-5-15-6-3-8-17(19(15)16)21(26)29/h2-3,5-8H,4,9-14H2,1H3,(H,23,27,30)