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

Systemtic Name: 4-butoxy-N-[[4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[[4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]benzamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=O)C(=C3NC4=C(O3)C=C(C(=C4)C)C)C=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=O)C(=C3NC4=C(O3)C=C(C(=C4)C)C)C=C2

InChI

InChI=1S/C27H27N3O4S/c1-4-5-12-33-20-9-6-18(7-10-20)25(32)30-27(35)28-19-8-11-21(23(31)15-19)26-29-22-13-16(2)17(3)14-24(22)34-26/h6-11,13-15,29H,4-5,12H2,1-3H3,(H2,28,30,32,35)