4-(2-methylsulfanylimidazol-1-yl)-N-[2-[(2-nitrophenyl)amino]ethyl]benzamide

Systemtic Name: 4-(2-methylsulfanylimidazol-1-yl)-N-[2-[(2-nitrophenyl)amino]ethyl]benzamide Openeye Name: 4-(2-methylsulfanylimidazol-1-yl)-N-[2-(2-nitroanilino)ethyl]benzamide CAS Name: 4-[2-(methylthio)-1-imidazolyl]-N-[2-(2-nitroanilino)ethyl]benzamide IUPAC Name: 4-(2-methylsulfanylimidazol-1-yl)-N-[2-(2-nitroanilino)ethyl]benzamide Traditional Name: 4-[2-(methylthio)imidazol-1-yl]-N-[2-(2-nitroanilino)ethyl]benzamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CN1C2=CC=C(C=C2)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CSC1=NC=CN1C2=CC=C(C=C2)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3S/c1-28-19-22-12-13-23(19)15-8-6-14(7-9-15)18(25)21-11-10-20-16-4-2-3-5-17(16)24(26)27/h2-9,12-13,20H,10-11H2,1H3,(H,21,25)