N-methyl-2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]-N-(quinoxalin-6-ylmethyl)ethanamide

Systemtic Name: N-methyl-2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]-N-(quinoxalin-6-ylmethyl)ethanamide Openeye Name: N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]-N-(quinoxalin-6-ylmethyl)acetamide CAS Name: N-methyl-2-[4-[[1-oxo-2-(phenylthio)ethyl]amino]-1-pyrazolyl]-N-(6-quinoxalinylmethyl)acetamide IUPAC Name: N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]-N-(quinoxalin-6-ylmethyl)acetamide Traditional Name: N-methyl-2-[4-[[2-(phenylthio)acetyl]amino]pyrazol-1-yl]-N-(quinoxalin-6-ylmethyl)acetamide Formula: C23H22N6O2S MolecularWeight: 446.52478

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=NC=CN=C2C=C1)C(=O)CN3C=C(C=N3)NC(=O)CSC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC2=NC=CN=C2C=C1)C(=O)CN3C=C(C=N3)NC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C23H22N6O2S/c1-28(13-17-7-8-20-21(11-17)25-10-9-24-20)23(31)15-29-14-18(12-26-29)27-22(30)16-32-19-5-3-2-4-6-19/h2-12,14H,13,15-16H2,1H3,(H,27,30)