4-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-benzamide

Systemtic Name: 4-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-benzamide Openeye Name: 4-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-benzamide CAS Name: 4-[[2-(diethylamino)-2-oxoethyl]thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitrobenzamide Traditional Name: 4-[[2-(diethylamino)-2-keto-ethyl]thio]-N-homoveratryl-3-nitro-benzamide Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=C(C=C(C=C1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)CSC1=C(C=C(C=C1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O6S/c1-5-25(6-2)22(27)15-33-21-10-8-17(14-18(21)26(29)30)23(28)24-12-11-16-7-9-19(31-3)20(13-16)32-4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,24,28)