(5-nitrofuran-2-yl)-(6-thiomorpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: (5-nitrofuran-2-yl)-(6-thiomorpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: (5-nitro-2-furyl)-(6-thiomorpholino-3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: (5-nitro-2-furanyl)-(6-thiomorpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: (5-nitrofuran-2-yl)-(6-thiomorpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: (5-nitro-2-furyl)-(6-thiomorpholino-3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)N3CCSCC3)C(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)N3CCSCC3)C(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c22-18(16-3-4-17(25-16)21(23)24)20-6-5-13-11-15(2-1-14(13)12-20)19-7-9-26-10-8-19/h1-4,11H,5-10,12H2