5-bromanyl-2-methoxy-3-methyl-N-[[3-oxidanylidene-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[[3-oxidanylidene-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: 5-bromo-N-[[4-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[[[3-oxo-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[[3-oxo-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: 5-bromo-N-[[4-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C26H24BrN3O4S MolecularWeight: 554.45546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC(=O)C(=C3NC4=C(O3)C=CC(=C4)C(C)C)C=C2)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC(=O)C(=C3NC4=C(O3)C=CC(=C4)C(C)C)C=C2)OC

InChI

InChI=1S/C26H24BrN3O4S/c1-13(2)15-5-8-22-20(10-15)29-25(34-22)18-7-6-17(12-21(18)31)28-26(35)30-24(32)19-11-16(27)9-14(3)23(19)33-4/h5-13,29H,1-4H3,(H2,28,30,32,35)