N-(2-diethylaminoethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-(2-diethylaminoethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-(2-diethylaminoethyl)-N-[2-[(4,5-dimethylthiazol-2-yl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-(2-diethylaminoethyl)-N-[2-[(4,5-dimethyl-2-thiazolyl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-(2-diethylaminoethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-(2-diethylaminoethyl)-N-[2-[(4,5-dimethylthiazol-2-yl)amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C20H27N5O4S MolecularWeight: 433.52448

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CC(=O)NC1=NC(=C(S1)C)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCN(CC(=O)NC1=NC(=C(S1)C)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O4S/c1-5-23(6-2)10-11-24(13-18(26)22-20-21-14(3)15(4)30-20)19(27)16-8-7-9-17(12-16)25(28)29/h7-9,12H,5-6,10-11,13H2,1-4H3,(H,21,22,26)