N-[4-(2-morpholin-4-ylethanoylamino)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[4-(2-morpholin-4-ylethanoylamino)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[4-[(2-morpholinoacetyl)amino]phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[4-[[2-(4-morpholinyl)-1-oxoethyl]amino]phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[4-[(2-morpholinoacetyl)amino]phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1COCCN1CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C22H24N6O3S/c29-20(13-28-9-11-31-12-10-28)25-18-5-7-19(8-6-18)26-21(30)17-3-1-16(2-4-17)14-32-22-23-15-24-27-22/h1-8,15H,9-14H2,(H,25,29)(H,26,30)(H,23,24,27)