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

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-4-nitro-benzamide Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-4-nitro-benzamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-4-nitrobenzamide IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-4-nitrobenzamide Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-4-nitro-benzamide Formula: C21H23ClN4O4S MolecularWeight: 462.94972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O4S/c1-4-24(5-2)12-13-25(20(27)14-6-8-15(9-7-14)26(28)29)21-23-18-17(30-3)11-10-16(22)19(18)31-21/h6-11H,4-5,12-13H2,1-3H3