N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]-3-(2-thienyl)pyrazole-4-carboxamide Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C24H20N4O3S/c1-15-23(29)26-19-12-17(9-10-20(19)31-15)25-24(30)18-14-28(13-16-6-3-2-4-7-16)27-22(18)21-8-5-11-32-21/h2-12,14-15H,13H2,1H3,(H,25,30)(H,26,29)/t15-/m0/s1