N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-(p-tolylsulfanyl)acetamide CAS Name: N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-(p-tolylthio)acetamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N(CCCN(C)C)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N(CCCN(C)C)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

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