2-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-thiophen-2-yl-propan-1-amine

Systemtic Name: 2-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-thiophen-2-yl-propan-1-amine Openeye Name: 2-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-(2-thienyl)propan-1-amine CAS Name: 2-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-thiophen-2-yl-1-propanamine IUPAC Name: 2-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-thiophen-2-ylpropan-1-amine Traditional Name: [2-methyl-1-(2-thienyl)propyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amine Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CS1)NCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(C)C(C1=CC=CS1)NCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C17H20N2O4S/c1-11(2)16(15-4-3-5-24-15)18-8-12-6-14(19(20)21)7-13-9-22-10-23-17(12)13/h3-7,11,16,18H,8-10H2,1-2H3