N-[[2-[2-azanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[[2-[2-azanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[[2-(2-amino-3,4-dioxo-cyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-2-(2-thienyl)acetamide CAS Name: N-[[2-(2-amino-3,4-dioxo-1-cyclobutenyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-2-thiophen-2-ylacetamide IUPAC Name: N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-2-thiophen-2-ylacetamide Traditional Name: N-[[2-(2-amino-3,4-diketo-cyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-2-(2-thienyl)acetamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)CNC(=O)CC3=CC=CS3)C4=C(C(=O)C4=O)N

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)CNC(=O)CC3=CC=CS3)C4=C(C(=O)C4=O)N

InChI

InChI=1S/C20H19N3O3S/c21-17-18(20(26)19(17)25)23-6-5-13-4-3-12(8-14(13)11-23)10-22-16(24)9-15-2-1-7-27-15/h1-4,7-8H,5-6,9-11,21H2,(H,22,24)