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

Systemtic Name: 4-(cyclopropylamino)-3-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-3-nitro-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: N-[2-(benzylthio)ethyl]-4-(cyclopropylamino)-3-nitro-benzamide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NCCSCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NCCSCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3S/c23-19(20-10-11-26-13-14-4-2-1-3-5-14)15-6-9-17(21-16-7-8-16)18(12-15)22(24)25/h1-6,9,12,16,21H,7-8,10-11,13H2,(H,20,23)