(4Z)-4-[[[4-(4-methylpiperazin-1-yl)phenyl]amino]methylidene]-6-thiophen-3-yl-isoquinoline-1,3-dione

Systemtic Name: (4Z)-4-[[[4-(4-methylpiperazin-1-yl)phenyl]amino]methylidene]-6-thiophen-3-yl-isoquinoline-1,3-dione Openeye Name: (4Z)-4-[[4-(4-methylpiperazin-1-yl)anilino]methylene]-6-(3-thienyl)isoquinoline-1,3-dione CAS Name: (4Z)-4-[[4-(4-methyl-1-piperazinyl)anilino]methylidene]-6-(3-thiophenyl)isoquinoline-1,3-dione IUPAC Name: (4Z)-4-[[4-(4-methylpiperazin-1-yl)anilino]methylidene]-6-thiophen-3-ylisoquinoline-1,3-dione Traditional Name: (4Z)-4-[[4-(4-methylpiperazino)anilino]methylene]-6-(3-thienyl)isoquinoline-1,3-quinone Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC=C3C4=C(C=CC(=C4)C5=CSC=C5)C(=O)NC3=O

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)N/C=C\3/C4=C(C=CC(=C4)C5=CSC=C5)C(=O)NC3=O

InChI

InChI=1S/C25H24N4O2S/c1-28-9-11-29(12-10-28)20-5-3-19(4-6-20)26-15-23-22-14-17(18-8-13-32-16-18)2-7-21(22)24(30)27-25(23)31/h2-8,13-16,26H,9-12H2,1H3,(H,27,30,31)/b23-15-