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

Systemtic Name: N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C21H23FN4O3S2 MolecularWeight: 462.560723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4O3S2/c1-24(2)11-12-25(20(27)4-3-13-30-17-8-5-15(22)6-9-17)21-23-18-10-7-16(26(28)29)14-19(18)31-21/h5-10,14H,3-4,11-13H2,1-2H3