4-nitro-N-[3-oxidanylidene-3-[2-(phenylmethylsulfanyl)ethylamino]propyl]benzamide

Systemtic Name: 4-nitro-N-[3-oxidanylidene-3-[2-(phenylmethylsulfanyl)ethylamino]propyl]benzamide Openeye Name: N-[3-(2-benzylsulfanylethylamino)-3-oxo-propyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[3-oxo-3-[2-(phenylmethylthio)ethylamino]propyl]benzamide IUPAC Name: N-[3-(2-benzylsulfanylethylamino)-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[2-(benzylthio)ethylamino]-3-keto-propyl]-4-nitro-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c23-18(20-12-13-27-14-15-4-2-1-3-5-15)10-11-21-19(24)16-6-8-17(9-7-16)22(25)26/h1-9H,10-14H2,(H,20,23)(H,21,24)