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

Systemtic Name: 5-bromanyl-N-[[(3E)-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[[(3E)-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[[(3E)-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[[(3E)-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[[(3E)-4-keto-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]nicotinamide Formula: C21H15BrN4O3S MolecularWeight: 483.3378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC2=C(C=C1)O/C(=C/3\C=C(C=CC3=O)NC(=S)NC(=O)C4=CC(=CN=C4)Br)/N2

InChI

InChI=1S/C21H15BrN4O3S/c1-11-2-5-18-16(6-11)25-20(29-18)15-8-14(3-4-17(15)27)24-21(30)26-19(28)12-7-13(22)10-23-9-12/h2-10,25H,1H3,(H2,24,26,28,30)/b20-15+