4-(2-methoxyethylamino)-3-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide

Systemtic Name: 4-(2-methoxyethylamino)-3-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-4-(2-methoxyethylamino)-3-nitro-benzamide CAS Name: 4-(2-methoxyethylamino)-3-nitro-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide Traditional Name: N-[2-(benzylthio)ethyl]-4-(2-methoxyethylamino)-3-nitro-benzamide Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4S/c1-26-11-9-20-17-8-7-16(13-18(17)22(24)25)19(23)21-10-12-27-14-15-5-3-2-4-6-15/h2-8,13,20H,9-12,14H2,1H3,(H,21,23)