N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-8-nitro-isoquinolin-5-amine

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-8-nitro-isoquinolin-5-amine Openeye Name: 8-nitro-N-[(4S)-thiochroman-4-yl]isoquinolin-5-amine CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-8-nitro-5-isoquinolinamine IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-8-nitroisoquinolin-5-amine Traditional Name: (8-nitro-5-isoquinolyl)-[(4S)-thiochroman-4-yl]amine Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CSC2=CC=CC=C2[C@H]1NC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O2S/c22-21(23)17-6-5-15(12-7-9-19-11-14(12)17)20-16-8-10-24-18-4-2-1-3-13(16)18/h1-7,9,11,16,20H,8,10H2/t16-/m0/s1