4-[bis(2-methylpropyl)amino]-3-nitro-thiochromen-2-one

Systemtic Name: 4-[bis(2-methylpropyl)amino]-3-nitro-thiochromen-2-one Openeye Name: 4-(diisobutylamino)-3-nitro-thiochromen-2-one CAS Name: 4-[bis(2-methylpropyl)amino]-3-nitro-1-benzothiopyran-2-one IUPAC Name: 4-[bis(2-methylpropyl)amino]-3-nitrothiochromen-2-one Traditional Name: 4-(diisobutylamino)-3-nitro-thiochromen-2-one Formula: C17H22N2O3S MolecularWeight: 334.43318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C1=C(C(=O)SC2=CC=CC=C21)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CC(C)C)C1=C(C(=O)SC2=CC=CC=C21)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O3S/c1-11(2)9-18(10-12(3)4)15-13-7-5-6-8-14(13)23-17(20)16(15)19(21)22/h5-8,11-12H,9-10H2,1-4H3