N-(diphenylmethyl)-2-[[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(diphenylmethyl)-2-[[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-benzhydryl-2-[[6-(1,1-dimethylpropyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]thiazole-4-carboxamide CAS Name: N-(diphenylmethyl)-2-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-4-thiazolecarboxamide IUPAC Name: N-benzhydryl-2-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(6-tert-amyl-3-keto-1,4-benzoxazin-4-yl)methyl]-N-benzhydryl-thiazole-4-carboxamide Formula: C31H31N3O3S MolecularWeight: 525.66114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=NC(=CS3)C(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=NC(=CS3)C(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H31N3O3S/c1-4-31(2,3)23-15-16-26-25(17-23)34(28(35)19-37-26)18-27-32-24(20-38-27)30(36)33-29(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-17,20,29H,4,18-19H2,1-3H3,(H,33,36)