4-(2-methoxyethylamino)-N-(4-methylsulfanylphenyl)-3-nitro-benzamide

Systemtic Name: 4-(2-methoxyethylamino)-N-(4-methylsulfanylphenyl)-3-nitro-benzamide Openeye Name: 4-(2-methoxyethylamino)-N-(4-methylsulfanylphenyl)-3-nitro-benzamide CAS Name: 4-(2-methoxyethylamino)-N-[4-(methylthio)phenyl]-3-nitrobenzamide IUPAC Name: 4-(2-methoxyethylamino)-N-(4-methylsulfanylphenyl)-3-nitrobenzamide Traditional Name: 4-(2-methoxyethylamino)-N-[4-(methylthio)phenyl]-3-nitro-benzamide Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4S/c1-24-10-9-18-15-8-3-12(11-16(15)20(22)23)17(21)19-13-4-6-14(25-2)7-5-13/h3-8,11,18H,9-10H2,1-2H3,(H,19,21)