N-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[2-[(2-cyanophenyl)methylthio]ethylamino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[2-[(2-cyanobenzyl)thio]ethylamino]-2-keto-ethyl]-3-nitro-benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4S/c20-11-15-4-1-2-5-16(15)13-28-9-8-21-18(24)12-22-19(25)14-6-3-7-17(10-14)23(26)27/h1-7,10H,8-9,12-13H2,(H,21,24)(H,22,25)