N-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: N-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C23H25N5O3S/c1-16-4-8-18(9-5-16)25-20(29)14-28(3)22(31)17-6-10-19(11-7-17)26-21(30)15-32-23-24-12-13-27(23)2/h4-13H,14-15H2,1-3H3,(H,25,29)(H,26,30)