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

Systemtic Name: N-(2-diethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-ethanamide Openeye Name: N-(2-diethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-acetamide CAS Name: N-(2-diethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-(phenylthio)acetamide IUPAC Name: N-(2-diethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide Traditional Name: N-(2-diethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-(phenylthio)acetamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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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)CSC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S2/c1-3-23(4-2)12-13-24(20(26)15-29-17-8-6-5-7-9-17)21-22-18-11-10-16(25(27)28)14-19(18)30-21/h5-11,14H,3-4,12-13,15H2,1-2H3