4-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(4-methoxyphenyl)methyl]-3-nitro-benzamide

Systemtic Name: 4-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(4-methoxyphenyl)methyl]-3-nitro-benzamide Openeye Name: 4-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-N-[(4-methoxyphenyl)methyl]-3-nitro-benzamide CAS Name: 4-[[2-(diethylamino)-2-oxoethyl]thio]-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide IUPAC Name: 4-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide Traditional Name: 4-[[2-(diethylamino)-2-keto-ethyl]thio]-3-nitro-N-p-anisyl-benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)CSC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-4-23(5-2)20(25)14-30-19-11-8-16(12-18(19)24(27)28)21(26)22-13-15-6-9-17(29-3)10-7-15/h6-12H,4-5,13-14H2,1-3H3,(H,22,26)