N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3,5-dinitro-benzamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3,5-dinitro-benzamide Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3,5-dinitro-benzamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3,5-dinitrobenzamide IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3,5-dinitrobenzamide Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3,5-dinitro-benzamide Formula: C21H22ClN5O6S MolecularWeight: 507.94728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN5O6S/c1-4-24(5-2)8-9-25(21-23-18-17(33-3)7-6-16(22)19(18)34-21)20(28)13-10-14(26(29)30)12-15(11-13)27(31)32/h6-7,10-12H,4-5,8-9H2,1-3H3