4-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-[2-(1-amino-4-phenyl-imidazol-2-yl)sulfanylacetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-[2-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-[2-(1-amino-4-phenylimidazol-2-yl)sulfanylacetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-[2-[(1-amino-4-phenyl-imidazol-2-yl)thio]acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CSC3=NC(=CN3N)C4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CSC3=NC(=CN3N)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3S/c1-23-20(28)18-12-25(16-9-5-6-10-17(16)29-18)19(27)13-30-21-24-15(11-26(21)22)14-7-3-2-4-8-14/h2-11,18H,12-13,22H2,1H3,(H,23,28)