N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(6-nitro-4H-1,3-benzodioxin-8-yl)methanamine

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(6-nitro-4H-1,3-benzodioxin-8-yl)methanamine Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(6-nitro-4H-1,3-benzodioxin-8-yl)methanamine CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(6-nitro-4H-1,3-benzodioxin-8-yl)methanamine IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(6-nitro-4H-1,3-benzodioxin-8-yl)methanamine Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amine Formula: C18H17N3O4S MolecularWeight: 371.41028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H17N3O4S/c1-20(9-17-19-15-4-2-3-5-16(15)26-17)8-12-6-14(21(22)23)7-13-10-24-11-25-18(12)13/h2-7H,8-11H2,1H3