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

Systemtic Name: N-[[2-[2-azanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[2-(2-amino-3,4-dioxo-cyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[2-(2-amino-3,4-dioxo-1-cyclobutenyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[2-(2-amino-3,4-diketo-cyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]thiophene-2-carboxamide Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)CNC(=O)C3=CC=CS3)C4=C(C(=O)C4=O)N

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)CNC(=O)C3=CC=CS3)C4=C(C(=O)C4=O)N

InChI

InChI=1S/C19H17N3O3S/c20-15-16(18(24)17(15)23)22-6-5-12-4-3-11(8-13(12)10-22)9-21-19(25)14-2-1-7-26-14/h1-4,7-8H,5-6,9-10,20H2,(H,21,25)