methyl 3-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(1-amino-4-phenyl-imidazol-2-yl)sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1-amino-4-phenylimidazol-2-yl)sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(1-amino-4-phenyl-imidazol-2-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=CN2N)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=CN2N)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O3S/c1-13-8-9-15(19(26)27-2)10-16(13)22-18(25)12-28-20-23-17(11-24(20)21)14-6-4-3-5-7-14/h3-11H,12,21H2,1-2H3,(H,22,25)