N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(2-diethylaminoethyl)-3-[(4-fluorophenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(2-diethylaminoethyl)-3-[(4-fluorophenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C22H25FN4O3S2 MolecularWeight: 476.587303

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN4O3S2/c1-3-25(4-2)12-13-26(21(28)11-14-31-18-8-5-16(23)6-9-18)22-24-19-10-7-17(27(29)30)15-20(19)32-22/h5-10,15H,3-4,11-14H2,1-2H3