3-[4-(2-methoxyethanoylamino)pyrazol-1-yl]-N-[(3-methylsulfanylphenyl)methyl]benzamide

Systemtic Name: 3-[4-(2-methoxyethanoylamino)pyrazol-1-yl]-N-[(3-methylsulfanylphenyl)methyl]benzamide Openeye Name: 3-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(3-methylsulfanylphenyl)methyl]benzamide CAS Name: 3-[4-[(2-methoxy-1-oxoethyl)amino]-1-pyrazolyl]-N-[[3-(methylthio)phenyl]methyl]benzamide IUPAC Name: 3-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(3-methylsulfanylphenyl)methyl]benzamide Traditional Name: 3-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[3-(methylthio)benzyl]benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=CN(N=C1)C2=CC=CC(=C2)C(=O)NCC3=CC(=CC=C3)SC

Isomeric SMILES

COCC(=O)NC1=CN(N=C1)C2=CC=CC(=C2)C(=O)NCC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H22N4O3S/c1-28-14-20(26)24-17-12-23-25(13-17)18-7-4-6-16(10-18)21(27)22-11-15-5-3-8-19(9-15)29-2/h3-10,12-13H,11,14H2,1-2H3,(H,22,27)(H,24,26)