2,6-dimethoxy-N-[[3-oxidanylidene-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide

Systemtic Name: 2,6-dimethoxy-N-[[3-oxidanylidene-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: N-[[4-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: 2,6-dimethoxy-N-[[[3-oxo-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,6-dimethoxy-N-[[3-oxo-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: N-[[4-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=C(C=CC=C4OC)OC)N2

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=C(C=CC=C4OC)OC)N2

InChI

InChI=1S/C26H25N3O5S/c1-14(2)15-8-11-20-18(12-15)28-25(34-20)17-10-9-16(13-19(17)30)27-26(35)29-24(31)23-21(32-3)6-5-7-22(23)33-4/h5-14,28H,1-4H3,(H2,27,29,31,35)