N-[(5-methylthiophen-2-yl)methyl]-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenyl-ethanamine

Systemtic Name: N-[(5-methylthiophen-2-yl)methyl]-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenyl-ethanamine Openeye Name: N-[(5-methyl-2-thienyl)methyl]-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenyl-ethanamine CAS Name: N-[(5-methyl-2-thiophenyl)methyl]-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenylethanamine IUPAC Name: N-[(5-methylthiophen-2-yl)methyl]-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenylethanamine Traditional Name: (5-methyl-2-thienyl)methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-phenethyl-amine Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C23H24N2O4S/c1-17-7-8-22(30-17)14-24(10-9-18-5-3-2-4-6-18)13-19-11-21(25(26)27)12-20-15-28-16-29-23(19)20/h2-8,11-12H,9-10,13-16H2,1H3