N-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-[1-(3-nitrophenyl)ethyl]benzamide

Systemtic Name: N-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-[1-(3-nitrophenyl)ethyl]benzamide Openeye Name: N-methyl-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-[1-(3-nitrophenyl)ethyl]benzamide CAS Name: N-methyl-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-N-[1-(3-nitrophenyl)ethyl]benzamide IUPAC Name: N-methyl-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-[1-(3-nitrophenyl)ethyl]benzamide Traditional Name: N-methyl-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-N-[1-(3-nitrophenyl)ethyl]benzamide Formula: C22H23N5O4S MolecularWeight: 453.51412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C22H23N5O4S/c1-15(17-5-4-6-19(13-17)27(30)31)26(3)21(29)16-7-9-18(10-8-16)24-20(28)14-32-22-23-11-12-25(22)2/h4-13,15H,14H2,1-3H3,(H,24,28)