N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(4-nitrophenyl)ethanamide Openeye Name: N-[2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(4-nitrophenyl)acetamide CAS Name: N-[2-[[2-(diethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(4-nitrophenyl)acetamide Traditional Name: N-[2-[[2-(diethylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-(4-nitrophenyl)acetamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S2/c1-3-24(4-2)20(27)13-30-21-23-17-10-7-15(12-18(17)31-21)22-19(26)11-14-5-8-16(9-6-14)25(28)29/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,26)