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

Systemtic Name: N-(2-diethylaminoethyl)-4-(4-fluorophenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: N-(2-diethylaminoethyl)-4-(4-fluorophenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(2-diethylaminoethyl)-4-[(4-fluorophenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: N-(2-diethylaminoethyl)-4-(4-fluorophenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(2-diethylaminoethyl)-4-[(4-fluorophenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C23H27FN4O3S2 MolecularWeight: 490.613883

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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)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C23H27FN4O3S2/c1-3-26(4-2)13-14-27(22(29)6-5-15-32-19-10-7-17(24)8-11-19)23-25-20-12-9-18(28(30)31)16-21(20)33-23/h7-12,16H,3-6,13-15H2,1-2H3