4-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-morpholin-4-ylethyl)-3-nitro-benzamide

Systemtic Name: 4-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-morpholin-4-ylethyl)-3-nitro-benzamide Openeye Name: 4-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-morpholinoethyl)-3-nitro-benzamide CAS Name: 4-[(2,3-dimethoxyphenyl)methylthio]-N-[2-(4-morpholinyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide Traditional Name: N-(2-morpholinoethyl)-3-nitro-4-(o-veratrylthio)benzamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CSC2=C(C=C(C=C2)C(=O)NCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OC)CSC2=C(C=C(C=C2)C(=O)NCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6S/c1-29-19-5-3-4-17(21(19)30-2)15-32-20-7-6-16(14-18(20)25(27)28)22(26)23-8-9-24-10-12-31-13-11-24/h3-7,14H,8-13,15H2,1-2H3,(H,23,26)