(4Z)-4-[[(4-methoxy-3-oxidanyl-phenyl)methylamino]methylidene]-6-thiophen-3-yl-isoquinoline-1,3-dione

Systemtic Name: (4Z)-4-[[(4-methoxy-3-oxidanyl-phenyl)methylamino]methylidene]-6-thiophen-3-yl-isoquinoline-1,3-dione Openeye Name: (4Z)-4-[[(3-hydroxy-4-methoxy-phenyl)methylamino]methylene]-6-(3-thienyl)isoquinoline-1,3-dione CAS Name: (4Z)-4-[[(3-hydroxy-4-methoxyphenyl)methylamino]methylidene]-6-(3-thiophenyl)isoquinoline-1,3-dione IUPAC Name: (4Z)-4-[[(3-hydroxy-4-methoxyphenyl)methylamino]methylidene]-6-thiophen-3-ylisoquinoline-1,3-dione Traditional Name: (4Z)-4-[[(3-hydroxy-4-methoxy-benzyl)amino]methylene]-6-(3-thienyl)isoquinoline-1,3-quinone Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC=C2C3=C(C=CC(=C3)C4=CSC=C4)C(=O)NC2=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN/C=C\2/C3=C(C=CC(=C3)C4=CSC=C4)C(=O)NC2=O)O

InChI

InChI=1S/C22H18N2O4S/c1-28-20-5-2-13(8-19(20)25)10-23-11-18-17-9-14(15-6-7-29-12-15)3-4-16(17)21(26)24-22(18)27/h2-9,11-12,23,25H,10H2,1H3,(H,24,26,27)/b18-11-