3-nitro-4-(4-phenylpiperazin-1-yl)thiochromen-2-one

Systemtic Name: 3-nitro-4-(4-phenylpiperazin-1-yl)thiochromen-2-one Openeye Name: 3-nitro-4-(4-phenylpiperazin-1-yl)thiochromen-2-one CAS Name: 3-nitro-4-(4-phenyl-1-piperazinyl)-1-benzothiopyran-2-one IUPAC Name: 3-nitro-4-(4-phenylpiperazin-1-yl)thiochromen-2-one Traditional Name: 3-nitro-4-(4-phenylpiperazino)thiochromen-2-one Formula: C19H17N3O3S MolecularWeight: 367.42158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)SC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)SC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O3S/c23-19-18(22(24)25)17(15-8-4-5-9-16(15)26-19)21-12-10-20(11-13-21)14-6-2-1-3-7-14/h1-9H,10-13H2