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

Systemtic Name: [4-(4-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,5-dinitrophenyl)methanone Openeye Name: [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,5-dinitrophenyl)methanone CAS Name: [4-(4-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3,5-dinitrophenyl)methanone IUPAC Name: [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,5-dinitrophenyl)methanone Traditional Name: [4-(4-chloro-1,3-benzothiazol-2-yl)piperazino]-(3,5-dinitrophenyl)methanone Formula: C18H14ClN5O5S MolecularWeight: 447.85226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=CC=C3Cl)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=CC=C3Cl)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN5O5S/c19-14-2-1-3-15-16(14)20-18(30-15)22-6-4-21(5-7-22)17(25)11-8-12(23(26)27)10-13(9-11)24(28)29/h1-3,8-10H,4-7H2