(3,5-dinitrophenyl)-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (3,5-dinitrophenyl)-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (3,5-dinitrophenyl)-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (3,5-dinitrophenyl)-[4-(6-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (3,5-dinitrophenyl)-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (3,5-dinitrophenyl)-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C19H17N5O5S MolecularWeight: 427.43378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O5S/c1-12-2-3-16-17(8-12)30-19(20-16)22-6-4-21(5-7-22)18(25)13-9-14(23(26)27)11-15(10-13)24(28)29/h2-3,8-11H,4-7H2,1H3