N-(2-diethylaminoethyl)-2-(4-methylphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: N-(2-diethylaminoethyl)-2-(4-methylphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: N-(2-diethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-(p-tolylsulfanyl)acetamide CAS Name: N-(2-diethylaminoethyl)-2-[(4-methylphenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: N-(2-diethylaminoethyl)-2-(4-methylphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-(2-diethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-(p-tolylthio)acetamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S2/c1-4-24(5-2)12-13-25(21(27)15-30-18-9-6-16(3)7-10-18)22-23-19-11-8-17(26(28)29)14-20(19)31-22/h6-11,14H,4-5,12-13,15H2,1-3H3