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

Systemtic Name: 2-bromanyl-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[3-keto-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]benzamide Formula: C22H16BrN3O3S MolecularWeight: 482.34974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=CC=C4Br)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=CC=C4Br)N2

InChI

InChI=1S/C22H16BrN3O3S/c1-12-6-9-19-17(10-12)25-21(29-19)15-8-7-13(11-18(15)27)24-22(30)26-20(28)14-4-2-3-5-16(14)23/h2-11,25H,1H3,(H2,24,26,28,30)