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

Systemtic Name: N-(2-diethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-(2-diethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(2-diethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-(2-diethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(2-diethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3S2/c1-3-25(4-2)14-15-26(22(28)11-8-16-31-19-9-6-5-7-10-19)23-24-20-13-12-18(27(29)30)17-21(20)32-23/h5-7,9-10,12-13,17H,3-4,8,11,14-16H2,1-2H3