N,N-bis(2-methoxyethyl)-4-[(4-methylphenyl)methylsulfanyl]-3-nitro-benzamide

Systemtic Name: N,N-bis(2-methoxyethyl)-4-[(4-methylphenyl)methylsulfanyl]-3-nitro-benzamide Openeye Name: N,N-bis(2-methoxyethyl)-3-nitro-4-(p-tolylmethylsulfanyl)benzamide CAS Name: N,N-bis(2-methoxyethyl)-4-[(4-methylphenyl)methylthio]-3-nitrobenzamide IUPAC Name: N,N-bis(2-methoxyethyl)-4-[(4-methylphenyl)methylsulfanyl]-3-nitrobenzamide Traditional Name: N,N-bis(2-methoxyethyl)-4-[(4-methylbenzyl)thio]-3-nitro-benzamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(C=C(C=C2)C(=O)N(CCOC)CCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(C=C(C=C2)C(=O)N(CCOC)CCOC)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O5S/c1-16-4-6-17(7-5-16)15-29-20-9-8-18(14-19(20)23(25)26)21(24)22(10-12-27-2)11-13-28-3/h4-9,14H,10-13,15H2,1-3H3